data_5aay_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 5aay _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.637 ' HE1' ' CE2' ' A' ' 395' ' ' PHE . 45.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 398' ' ' PRO . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.654 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.567 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.627 ' HE2' ' CE1' ' A' ' 395' ' ' PHE . 4.8 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 41.8 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 407' ' ' MET . 21.2 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.1 mm-40 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.637 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 26.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . 0.431 ' HD2' ' NZ ' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . 0.431 ' NZ ' ' HD2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.665 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.481 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 407' ' ' MET . 11.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 401' ' ' GLN . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.415 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 51.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.603 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 21.4 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.476 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 37.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 10.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 401' ' ' GLN . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 29.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 401' ' ' GLN . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.634 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.415 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.643 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . 0.41 ' O ' HG21 ' A' ' 414' ' ' VAL . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 411' ' ' GLN . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' MET . . . . . 0.504 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.668 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 7.2 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.512 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.512 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.614 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 19.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 395' ' ' PHE . 97.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 407' ' ' MET . 34.2 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 395' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 407' ' ' MET . 26.5 m-85 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 402' ' ' TYR . . . . . 1.654 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 404' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 407' ' ' MET . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 395' ' ' PHE . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 410' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.722 0.296 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.24 117.5 3.48 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.6 2.2 . . . . 0.0 112.332 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.99 120.71 7.06 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.23 0.51 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.388 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.637 ' HE1' ' CE2' ' A' ' 395' ' ' PHE . 45.5 m-85 -95.21 44.83 1.09 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 398' ' ' PRO . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.654 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.567 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.567 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . 0.401 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t -59.09 -18.57 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.414 ' CD1' ' N ' ' A' ' 418' ' ' ILE . 0.0 OUTLIER -101.82 125.0 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.632 0.254 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.97 104.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.57 2.18 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.25 169.57 9.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.28 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.5 -7.08 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.627 ' HE2' ' CE1' ' A' ' 395' ' ' PHE . 4.8 m-85 -94.35 42.78 1.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.558 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.558 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . 0.487 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' MET . . . . . 0.487 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 41.8 t -64.71 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 8.3 mt -84.38 136.59 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.584 0.23 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.4 150.13 8.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.559 2.172 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.78 158.66 46.51 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.567 2.178 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.49 -6.97 54.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.343 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.408 ' CE2' ' HG3' ' A' ' 407' ' ' MET . 21.2 m-85 -95.58 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.1 mm-40 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.637 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.503 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.408 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.503 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.46 -60.71 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 3.7 pt -66.71 131.32 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.429 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.688 0.28 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 111.42 2.91 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 147.93 53.62 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.428 2.086 . . . . 0.0 112.28 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.27 -12.58 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.235 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.67 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 26.2 m-85 -94.59 40.78 1.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . 0.431 ' HD2' ' NZ ' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.454 ' HE2' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.628 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.73 -22.28 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.454 HG12 ' HE2' ' A' ' 399' ' ' LYS . 8.9 mt -96.28 130.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.722 0.296 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.11 153.79 66.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.02 122.74 9.05 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.538 2.159 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -102.78 0.28 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -95.02 45.11 1.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.665 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.487 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.487 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.04 -24.26 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 6.2 mt -91.09 135.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.812 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.702 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.42 119.66 6.54 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.154 . . . . 0.0 112.182 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.52 111.29 2.72 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.441 2.094 . . . . 0.0 112.269 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -117.29 6.64 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -98.57 44.44 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.481 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.481 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.53 -24.95 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.01 135.95 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.078 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.647 0.261 . . . . 0.0 111.454 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -82.01 135.75 8.85 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.576 2.184 . . . . 0.0 112.423 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 136.59 67.37 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.431 2.087 . . . . 0.0 112.239 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -128.23 6.8 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.403 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.415 ' CE2' ' HG3' ' A' ' 407' ' ' MET . 11.0 m-85 -114.53 30.92 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 401' ' ' GLN . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.651 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.415 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 51.0 t -58.07 -19.03 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 418' ' ' ILE . 0.2 OUTLIER -85.02 136.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.864 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.674 0.273 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.08 162.96 1.68 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 178.13 4.8 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.501 2.134 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.19 6.47 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.603 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 21.4 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.476 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 418' ' ' ILE . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 44.2 t -53.8 -23.71 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.42 HD11 ' N ' ' A' ' 418' ' ' ILE . 0.9 OUTLIER -81.27 125.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 111.005 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.692 0.282 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.05 138.49 53.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.52 2.147 . . . . 0.0 112.277 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.77 148.78 35.47 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.41 2.073 . . . . 0.0 112.281 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.77 -8.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.605 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 37.4 m-85 -94.52 42.18 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.436 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.36 -23.12 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 9.4 mt -93.15 135.43 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.698 0.285 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.69 154.44 17.91 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 0.0 112.456 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 122.43 9.01 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 6.59 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.382 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.437 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.97 -25.15 57.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 2.7 mt -83.12 121.25 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.988 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.555 0.216 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.64 155.46 58.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.47 2.114 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.149 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.18 -15.7 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.639 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 10.2 m-85 -93.82 39.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 401' ' ' GLN . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . 0.403 ' CG ' HG22 ' A' ' 418' ' ' ILE . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.431 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.94 -54.69 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.403 HG22 ' CG ' ' A' ' 399' ' ' LYS . 6.0 pt -68.35 130.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.4 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.867 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.66 110.94 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.615 2.21 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.39 161.79 41.69 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 112.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -129.69 7.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 29.1 m-85 -91.9 47.73 1.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 401' ' ' GLN . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.634 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.485 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.415 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.67 -25.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.2 mt -84.07 133.75 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.685 0.278 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 151.24 56.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.58 2.187 . . . . 0.0 112.335 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 136.78 26.47 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.495 2.13 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 -7.52 15.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.37 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -94.45 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.643 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . 0.41 ' O ' HG21 ' A' ' 414' ' ' VAL . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.41 HG21 ' O ' ' A' ' 411' ' ' GLN . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' MET . . . . . 0.504 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.58 -26.12 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 3.6 mt -83.16 126.3 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.97 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.36 153.12 50.35 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.75 -165.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.62 2.213 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.36 5.81 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.438 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.78 44.82 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.668 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.461 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.14 -25.25 61.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 6.6 mt -88.9 135.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.946 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.737 0.303 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.58 109.56 2.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.464 2.109 . . . . 0.0 112.184 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.98 152.5 80.21 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.441 2.094 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.42 4.67 3.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.541 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.646 ' HD2' ' CD1' ' A' ' 395' ' ' PHE . 7.2 m-85 -108.67 28.29 8.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.658 ' HD2' ' CD1' ' A' ' 402' ' ' TYR . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.512 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.512 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.6 t -52.61 -23.52 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . 0.429 ' CD1' ' N ' ' A' ' 418' ' ' ILE . 0.3 OUTLIER -85.86 129.24 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.914 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 391' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 392' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.582 0.23 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 391' ' ' SER . 64.6 Cg_exo -51.37 137.16 47.83 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.491 2.127 . . . . 0.0 112.248 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.61 164.09 34.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.477 2.118 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 -15.56 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.614 ' HD1' ' CD2' ' A' ' 395' ' ' PHE . 19.9 m-85 -95.08 38.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.448 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 7.9 t -53.51 -22.84 8.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -115.07 119.02 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.123 -179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 391' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 392' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.624 0.249 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . 0.461 ' HB2' ' HB2' ' A' ' 395' ' ' PHE . 56.7 Cg_endo -70.34 172.45 13.18 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.451 2.101 . . . . 0.0 112.382 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 395' ' ' PHE . 79.0 Cg_endo -78.43 88.08 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.692 2.261 . . . . 0.0 113.11 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.68 6.12 5.58 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 395' ' ' PHE . 97.0 m-85 -104.28 41.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.521 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.521 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 27.4 t -88.87 -49.31 6.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 2.2 pt -68.98 119.06 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.346 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.664 0.268 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.54 104.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.583 2.188 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.47 156.38 6.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.545 2.163 . . . . 0.0 112.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.92 -10.95 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.415 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' A' ' 407' ' ' MET . 34.2 m-85 -93.97 41.85 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.419 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.463 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 23.2 t -106.39 -45.7 4.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 7.7 pt -79.83 131.06 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.326 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.943 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.704 0.287 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 152.85 67.46 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.508 2.139 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.94 168.96 22.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.553 2.169 . . . . 0.0 112.275 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.02 -18.39 13.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -95.43 36.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.473 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.2 -24.43 63.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 8.3 mt -90.45 135.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.41 174.46 10.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.599 2.2 . . . . 0.0 112.286 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.88 168.74 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.59 2.193 . . . . 0.0 112.206 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -96.33 -100.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 395' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 407' ' ' MET . 26.5 m-85 46.7 27.58 0.68 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 402' ' ' TYR . . . . . 1.654 ' HE1' ' CE2' ' A' ' 402' ' ' TYR . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 404' ' ' ALA . . . . . 0.48 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' MET . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 395' ' ' PHE . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' LEU . . . . . 0.48 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t -57.69 -25.76 60.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 7.6 mt -87.36 132.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.891 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.542 ' SG ' HG12 ' A' ' 414' ' ' VAL . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.602 ' HB2' HD13 ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.53 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 409' ' ' THR . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.542 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.511 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.563 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.511 HG12 ' SG ' ' A' ' 397' ' ' CYS . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 41.8 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.2 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 7.5 mm100 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.863 ' HA ' HD12 ' A' ' 412' ' ' ILE . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 414' ' ' VAL . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 409' ' ' THR . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.698 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.482 ' HG2' ' HZ2' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 399' ' ' LYS . . . . . 0.482 ' HZ2' ' HG2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.597 ' HA ' HD12 ' A' ' 412' ' ' ILE . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 409' ' ' THR . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 410' ' ' LEU . 22.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 414' ' ' VAL . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 402' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.773 ' HA ' HD12 ' A' ' 412' ' ' ILE . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 414' ' ' VAL . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 409' ' ' THR . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.725 ' HA ' HD22 ' A' ' 410' ' ' LEU . 31.8 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 414' ' ' VAL . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 403' ' ' GLN . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.752 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.752 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 409' ' ' THR . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.484 ' HA ' HD22 ' A' ' 410' ' ' LEU . 11.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.5 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.758 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 412' ' ' ILE . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.819 ' O ' HG22 ' A' ' 414' ' ' VAL . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 409' ' ' THR . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 51.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.427 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.4 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 412' ' ' ILE . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 409' ' ' THR . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 44.2 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 410' ' ' LEU . 37.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.712 ' HA ' HD12 ' A' ' 412' ' ' ILE . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 414' ' ' VAL . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 409' ' ' THR . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 6.0 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 396' ' ' CYS . . . . . 0.429 ' C ' HD11 ' A' ' 410' ' ' LEU . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.512 ' SG ' HG12 ' A' ' 414' ' ' VAL . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.82 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.82 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 409' ' ' THR . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 414' ' ' VAL . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 414' ' ' VAL . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 409' ' ' THR . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.523 ' HA ' HD22 ' A' ' 410' ' ' LEU . 29.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.465 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.438 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 412' ' ' ILE . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.791 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 409' ' ' THR . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.465 HG12 ' SG ' ' A' ' 397' ' ' CYS . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.773 ' HA ' HD22 ' A' ' 410' ' ' LEU . 42.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.525 ' SG ' HG12 ' A' ' 414' ' ' VAL . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.799 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.799 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 410' ' ' LEU . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 410' ' ' LEU . 47.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.833 ' O ' HG22 ' A' ' 414' ' ' VAL . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.601 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.2 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.834 ' HA ' HD12 ' A' ' 412' ' ' ILE . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 414' ' ' VAL . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 409' ' ' THR . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 43.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 412' ' ' ILE . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 414' ' ' VAL . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 411' ' ' GLN . . . . . 0.401 ' HG3' ' HE3' ' A' ' 415' ' ' MET . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 409' ' ' THR . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 415' ' ' MET . . . . . 0.401 ' HE3' ' HG3' ' A' ' 411' ' ' GLN . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 7.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.826 ' HA ' HD22 ' A' ' 410' ' ' LEU . 97.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 398' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.754 ' HA ' HD12 ' A' ' 412' ' ' ILE . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 395' ' ' PHE . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 409' ' ' THR . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 27.4 t . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.6 ' HA ' HD22 ' A' ' 410' ' ' LEU . 34.2 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 397' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 414' ' ' VAL . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 407' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.564 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 409' ' ' THR . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 413' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 417' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 23.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.782 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.785 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.785 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 395' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.5 m-85 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 404' ' ' ALA . . . . . 0.576 ' CB ' HD13 ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 409' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 412' ' ' ILE . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 409' ' ' THR . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.722 0.296 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.24 117.5 3.48 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.6 2.2 . . . . 0.0 112.332 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.99 120.71 7.06 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.23 0.51 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.388 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.21 44.83 1.09 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.542 ' SG ' HG12 ' A' ' 414' ' ' VAL . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.602 ' HB2' HD13 ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.53 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 409' ' ' THR . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.542 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t -59.09 -18.57 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -101.82 125.0 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.632 0.254 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.97 104.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.57 2.18 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.25 169.57 9.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.28 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.5 -7.08 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -94.35 42.78 1.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.511 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.408 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.563 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.511 HG12 ' SG ' ' A' ' 397' ' ' CYS . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 41.8 t -64.71 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 414' ' ' VAL . 8.3 mt -84.38 136.59 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.584 0.23 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.4 150.13 8.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.559 2.172 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.78 158.66 46.51 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.567 2.178 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.49 -6.97 54.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.343 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.2 m-85 -95.58 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 7.5 mm100 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.863 ' HA ' HD12 ' A' ' 412' ' ' ILE . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 414' ' ' VAL . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 409' ' ' THR . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.46 -60.71 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 3.7 pt -66.71 131.32 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.429 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.688 0.28 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 111.42 2.91 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 147.93 53.62 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.428 2.086 . . . . 0.0 112.28 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.27 -12.58 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.235 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.698 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.2 m-85 -94.59 40.78 1.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.482 ' HG2' ' HZ2' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.482 ' HZ2' ' HG2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.597 ' HA ' HD12 ' A' ' 412' ' ' ILE . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 409' ' ' THR . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.73 -22.28 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' HE2' ' A' ' 399' ' ' LYS . 8.9 mt -96.28 130.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.722 0.296 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.11 153.79 66.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.02 122.74 9.05 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.538 2.159 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -102.78 0.28 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 410' ' ' LEU . 22.1 m-85 -95.02 45.11 1.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 414' ' ' VAL . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.415 ' HG3' HG12 ' A' ' 418' ' ' ILE . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 402' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.773 ' HA ' HD12 ' A' ' 412' ' ' ILE . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 414' ' ' VAL . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 409' ' ' THR . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.04 -24.26 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.415 HG12 ' HG3' ' A' ' 399' ' ' LYS . 6.2 mt -91.09 135.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.812 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.702 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.42 119.66 6.54 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.154 . . . . 0.0 112.182 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.52 111.29 2.72 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.441 2.094 . . . . 0.0 112.269 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -117.29 6.64 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.725 ' HA ' HD22 ' A' ' 410' ' ' LEU . 31.8 m-85 -98.57 44.44 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 414' ' ' VAL . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 403' ' ' GLN . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.752 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.752 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 409' ' ' THR . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.53 -24.95 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' A' ' 399' ' ' LYS . 12.5 mt -89.01 135.95 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.078 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 391' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 392' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.647 0.261 . . . . 0.0 111.454 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 392' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 393' ' ' PRO . 92.4 Cg_endo -82.01 135.75 8.85 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.576 2.184 . . . . 0.0 112.423 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 393' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 392' ' ' PRO . 50.9 Cg_exo -54.0 136.59 67.37 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.431 2.087 . . . . 0.0 112.239 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 394' ' ' ASP . . . . . 0.62 ' O ' HD22 ' A' ' 410' ' ' LEU . 4.7 m-20 -128.23 6.8 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.403 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.484 ' HA ' HD22 ' A' ' 410' ' ' LEU . 11.0 m-85 -114.53 30.92 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.5 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 418' ' ' ILE . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.758 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 412' ' ' ILE . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.819 ' O ' HG22 ' A' ' 414' ' ' VAL . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 409' ' ' THR . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 51.0 t -58.07 -19.03 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.2 OUTLIER -85.02 136.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.864 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.674 0.273 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.08 162.96 1.68 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 178.13 4.8 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.501 2.134 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.19 6.47 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.427 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.4 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.405 ' HG3' HD12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 412' ' ' ILE . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 409' ' ' THR . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 44.2 t -53.8 -23.71 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.9 OUTLIER -81.27 125.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 111.005 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.692 0.282 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.05 138.49 53.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.52 2.147 . . . . 0.0 112.277 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.77 148.78 35.47 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.41 2.073 . . . . 0.0 112.281 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.77 -8.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 410' ' ' LEU . 37.4 m-85 -94.52 42.18 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.423 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.712 ' HA ' HD12 ' A' ' 412' ' ' ILE . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 414' ' ' VAL . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 409' ' ' THR . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.36 -23.12 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.423 HG12 ' HG3' ' A' ' 399' ' ' LYS . 9.4 mt -93.15 135.43 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.698 0.285 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.69 154.44 17.91 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 0.0 112.456 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 122.43 9.01 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 6.59 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.382 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 6.0 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 396' ' ' CYS . . . . . 0.429 ' C ' HD11 ' A' ' 410' ' ' LEU . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.512 ' SG ' HG12 ' A' ' 414' ' ' VAL . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.82 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.82 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 409' ' ' THR . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.97 -25.15 57.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.438 HG12 ' HG3' ' A' ' 399' ' ' LYS . 2.7 mt -83.12 121.25 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.555 0.216 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.64 155.46 58.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.47 2.114 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.149 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.18 -15.7 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.82 39.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 414' ' ' VAL . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 418' ' ' ILE . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 414' ' ' VAL . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 409' ' ' THR . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.94 -54.69 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 399' ' ' LYS . 6.0 pt -68.35 130.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.4 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.867 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 392' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' A' ' 393' ' ' PRO . 74.1 Cg_exo -49.66 110.94 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.615 2.21 . . . . 0.0 112.378 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 393' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 392' ' ' PRO . 41.5 Cg_endo -67.39 161.79 41.69 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 112.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -129.69 7.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.523 ' HA ' HD22 ' A' ' 410' ' ' LEU . 29.1 m-85 -91.9 47.73 1.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.465 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.438 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 412' ' ' ILE . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.791 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 409' ' ' THR . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.465 HG12 ' SG ' ' A' ' 397' ' ' CYS . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.67 -25.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.2 mt -84.07 133.75 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.685 0.278 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 151.24 56.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.58 2.187 . . . . 0.0 112.335 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 136.78 26.47 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.495 2.13 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 -7.52 15.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.37 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.773 ' HA ' HD22 ' A' ' 410' ' ' LEU . 42.9 m-85 -94.45 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.525 ' SG ' HG12 ' A' ' 414' ' ' VAL . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.799 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.799 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 410' ' ' LEU . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.58 -26.12 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.436 HG12 ' HG3' ' A' ' 399' ' ' LYS . 3.6 mt -83.16 126.3 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.97 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.36 153.12 50.35 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.75 -165.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.62 2.213 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.36 5.81 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.438 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 410' ' ' LEU . 47.1 m-85 -97.78 44.82 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.833 ' O ' HG22 ' A' ' 414' ' ' VAL . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.14 -25.25 61.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.42 HG12 ' HG3' ' A' ' 399' ' ' LYS . 6.6 mt -88.9 135.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.946 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.737 0.303 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.58 109.56 2.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.464 2.109 . . . . 0.0 112.184 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.98 152.5 80.21 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.441 2.094 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.42 4.67 3.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.541 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.601 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.2 m-85 -108.67 28.29 8.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.697 ' HG3' HD12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.834 ' HA ' HD12 ' A' ' 412' ' ' ILE . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 414' ' ' VAL . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 409' ' ' THR . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 43.6 t -52.61 -23.52 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -85.86 129.24 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.914 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 391' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 392' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.582 0.23 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 392' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 391' ' ' SER . 64.6 Cg_exo -51.37 137.16 47.83 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.491 2.127 . . . . 0.0 112.248 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.61 164.09 34.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.477 2.118 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 -15.56 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -95.08 38.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HG2' HG23 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 412' ' ' ILE . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 414' ' ' VAL . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLN . . . . . 0.401 ' HG3' ' HE3' ' A' ' 415' ' ' MET . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 409' ' ' THR . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 415' ' ' MET . . . . . 0.401 ' HE3' ' HG3' ' A' ' 411' ' ' GLN . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 7.9 t -53.51 -22.84 8.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.629 HG23 ' HG2' ' A' ' 399' ' ' LYS . 0.9 OUTLIER -115.07 119.02 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.123 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 391' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 392' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.624 0.249 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 392' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 395' ' ' PHE . 56.7 Cg_endo -70.34 172.45 13.18 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.451 2.101 . . . . 0.0 112.382 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 393' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 395' ' ' PHE . 79.0 Cg_endo -78.43 88.08 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.692 2.261 . . . . 0.0 113.11 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.68 6.12 5.58 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.826 ' HA ' HD22 ' A' ' 410' ' ' LEU . 97.0 m-85 -104.28 41.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 398' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 418' ' ' ILE . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.754 ' HA ' HD12 ' A' ' 412' ' ' ILE . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 395' ' ' PHE . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 409' ' ' THR . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 27.4 t -88.87 -49.31 6.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' A' ' 399' ' ' LYS . 2.2 pt -68.98 119.06 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.346 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.664 0.268 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.54 104.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.583 2.188 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.47 156.38 6.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.545 2.163 . . . . 0.0 112.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.92 -10.95 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.415 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.6 ' HA ' HD22 ' A' ' 410' ' ' LEU . 34.2 m-85 -93.97 41.85 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 397' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 414' ' ' VAL . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.447 ' CG ' HG22 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 407' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.564 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 409' ' ' THR . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 417' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 23.2 t -106.39 -45.7 4.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 399' ' ' LYS . 7.7 pt -79.83 131.06 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.326 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.943 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.704 0.287 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 152.85 67.46 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.508 2.139 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.94 168.96 22.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.553 2.169 . . . . 0.0 112.275 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.02 -18.39 13.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.782 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.9 m-85 -95.43 36.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.785 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.785 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.2 -24.43 63.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 8.3 mt -90.45 135.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.41 174.46 10.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.599 2.2 . . . . 0.0 112.286 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.88 168.74 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.59 2.193 . . . . 0.0 112.206 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -96.33 -100.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 395' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.5 m-85 46.7 27.58 0.68 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 404' ' ' ALA . . . . . 0.576 ' CB ' HD13 ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 409' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 412' ' ' ILE . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 409' ' ' THR . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t -57.69 -25.76 60.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 418' ' ' ILE . . . . . 0.413 HG12 ' HG3' ' A' ' 399' ' ' LYS . 7.6 mt -87.36 132.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.891 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.542 ' SG ' HG12 ' A' ' 414' ' ' VAL . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.602 ' HB2' HD13 ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.53 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 409' ' ' THR . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.542 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.511 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.563 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.511 HG12 ' SG ' ' A' ' 397' ' ' CYS . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 41.8 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.2 m-85 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.1 mm-40 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.863 ' HA ' HD12 ' A' ' 412' ' ' ILE . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 414' ' ' VAL . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 409' ' ' THR . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.698 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.2 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.482 ' HG2' ' HZ2' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . 0.482 ' HZ2' ' HG2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.597 ' HA ' HD12 ' A' ' 412' ' ' ILE . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 409' ' ' THR . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 410' ' ' LEU . 22.1 m-85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 414' ' ' VAL . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.773 ' HA ' HD12 ' A' ' 412' ' ' ILE . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 414' ' ' VAL . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 409' ' ' THR . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.725 ' HA ' HD22 ' A' ' 410' ' ' LEU . 31.8 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 414' ' ' VAL . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 403' ' ' GLN . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.752 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.752 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 409' ' ' THR . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.484 ' HA ' HD22 ' A' ' 410' ' ' LEU . 11.0 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.5 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.758 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 412' ' ' ILE . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.819 ' O ' HG22 ' A' ' 414' ' ' VAL . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 409' ' ' THR . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 51.0 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.427 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.4 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 412' ' ' ILE . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 409' ' ' THR . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 44.2 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 410' ' ' LEU . 37.4 m-85 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.712 ' HA ' HD12 ' A' ' 412' ' ' ILE . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 414' ' ' VAL . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 409' ' ' THR . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 6.0 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . 0.429 ' C ' HD11 ' A' ' 410' ' ' LEU . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.512 ' SG ' HG12 ' A' ' 414' ' ' VAL . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.82 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.82 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 409' ' ' THR . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 414' ' ' VAL . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 414' ' ' VAL . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 409' ' ' THR . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.523 ' HA ' HD22 ' A' ' 410' ' ' LEU . 29.1 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.465 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.438 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 412' ' ' ILE . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.791 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 409' ' ' THR . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.465 HG12 ' SG ' ' A' ' 397' ' ' CYS . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.773 ' HA ' HD22 ' A' ' 410' ' ' LEU . 42.9 m-85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.525 ' SG ' HG12 ' A' ' 414' ' ' VAL . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.799 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.799 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 410' ' ' LEU . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 410' ' ' LEU . 47.1 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.833 ' O ' HG22 ' A' ' 414' ' ' VAL . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.601 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.2 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.834 ' HA ' HD12 ' A' ' 412' ' ' ILE . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 414' ' ' VAL . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 409' ' ' THR . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 43.6 t . . . . . 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 412' ' ' ILE . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 414' ' ' VAL . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . 0.401 ' HG3' ' HE3' ' A' ' 415' ' ' MET . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 409' ' ' THR . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . 0.401 ' HE3' ' HG3' ' A' ' 411' ' ' GLN . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 7.9 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.826 ' HA ' HD22 ' A' ' 410' ' ' LEU . 97.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.754 ' HA ' HD12 ' A' ' 412' ' ' ILE . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 395' ' ' PHE . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 409' ' ' THR . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 27.4 t . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.6 ' HA ' HD22 ' A' ' 410' ' ' LEU . 34.2 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 414' ' ' VAL . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.564 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 409' ' ' THR . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 23.2 t . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.782 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.9 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.785 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.785 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 395' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.5 m-85 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 404' ' ' ALA . . . . . 0.576 ' CB ' HD13 ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 409' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 412' ' ' ILE . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 409' ' ' THR . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.722 0.296 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_exo -51.24 117.5 3.48 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.6 2.2 . . . . 0.0 112.332 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_exo -50.99 120.71 7.06 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.495 2.13 . . . . 0.0 112.338 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.23 0.51 25.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.388 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -95.21 44.83 1.09 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.862 0.363 . . . . 0.0 110.792 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 94.1 m -114.04 133.64 55.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.064 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.542 ' SG ' HG12 ' A' ' 414' ' ' VAL . 51.2 t -78.3 130.1 72.95 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.5 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 6.0 Cg_exo -78.1 7.65 3.92 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.748 2.299 . . . . 0.0 113.192 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.7 -39.25 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.701 0.286 . . . . 0.0 111.133 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 4.7 p -139.35 13.13 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.697 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 59.43 19.65 8.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.755 0.312 . . . . 0.0 111.118 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.35 137.61 57.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.833 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -93.48 116.94 29.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.685 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.602 ' HB2' HD13 ' A' ' 410' ' ' LEU . . . -94.33 144.82 28.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.371 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.65 -17.95 17.77 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.566 2.177 . . . . 0.0 112.421 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -148.84 -165.8 2.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.518 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 31.9 mtp -95.36 -39.89 9.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -56.06 17.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.795 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.53 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.3 m -55.97 -36.64 68.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.617 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.602 HD13 ' HB2' ' A' ' 404' ' ' ALA . 19.6 tp -61.88 -46.17 90.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.842 179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -64.13 -35.92 82.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 409' ' ' THR . 27.4 mt -69.37 -32.65 54.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.51 179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.42 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 76.7 t60 -67.01 -47.85 70.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.705 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.542 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.7 m -67.41 -38.74 81.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.286 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -53.47 -26.85 22.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.237 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -120.19 -9.05 9.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.786 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 37.2 t -59.09 -18.57 36.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.806 0.336 . . . . 0.0 110.651 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -101.82 125.0 56.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.795 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.902 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.632 0.254 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_exo -50.97 104.47 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.57 2.18 . . . . 0.0 112.348 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.25 169.57 9.17 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.28 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.5 -7.08 54.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.237 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -94.35 42.78 1.1 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.914 0.388 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 29.2 p -115.21 128.57 56.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.511 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.8 t -67.72 118.78 60.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.502 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.94 -2.33 12.38 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.457 2.105 . . . . 0.0 113.116 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.408 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -91.97 -42.49 9.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.54 0.21 . . . . 0.0 111.272 -179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 31.6 p -134.88 8.4 3.52 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 66.09 16.45 10.46 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.532 0.206 . . . . 0.0 111.509 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 27.8 t80 -63.49 139.62 58.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.838 0.351 . . . . 0.0 110.777 179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 13.0 mt-30 -91.1 146.96 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.563 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -127.6 145.17 53.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.386 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -77.77 -18.34 13.42 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.678 2.252 . . . . 0.0 112.496 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -150.55 -170.43 3.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 6.2 ttt -90.43 -36.07 14.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.033 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.39 -56.17 18.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.744 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 25.4 m -59.36 -36.75 76.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.005 0.431 . . . . 0.0 110.299 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.563 ' HB2' ' CB ' ' A' ' 404' ' ' ALA . 7.3 tp -64.34 -46.41 83.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.53 179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -40.75 96.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 415' ' ' MET . 24.0 mt -67.69 -32.38 56.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 66.2 t60 -67.33 -44.39 79.23 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.64 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.511 HG12 ' SG ' ' A' ' 397' ' ' CYS . 7.7 m -72.8 -41.51 61.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -179.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.513 ' HG2' ' O ' ' A' ' 412' ' ' ILE . 20.3 ptm -53.54 -25.12 15.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.553 0.216 . . . . 0.0 111.388 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.53 -27.41 7.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.683 -0.235 . . . . 0.0 111.459 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 41.8 t -64.71 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.545 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.443 HD12 ' O ' ' A' ' 414' ' ' VAL . 8.3 mt -84.38 136.59 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.073 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.855 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.584 0.23 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.4 150.13 8.53 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.559 2.172 . . . . 0.0 112.383 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -73.78 158.66 46.51 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.567 2.178 . . . . 0.0 112.314 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -76.49 -6.97 54.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.343 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.2 m-85 -95.58 42.17 1.09 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.783 0.325 . . . . 0.0 110.797 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -128.04 127.05 42.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.099 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.425 ' O ' ' N ' ' A' ' 401' ' ' GLN . 44.0 t -77.44 123.05 86.85 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.568 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -71.65 -9.1 24.45 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.324 2.016 . . . . 0.0 112.784 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.2 -44.71 11.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.775 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 6.4 p -135.91 13.39 3.37 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.1 mm-40 60.26 19.41 8.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 0.0 111.158 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -58.5 135.84 57.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.861 0.363 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.04 146.82 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.731 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.511 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.69 139.81 36.75 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.352 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -74.68 -14.83 21.87 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.566 2.178 . . . . 0.0 112.337 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -155.0 164.68 38.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.199 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.433 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 55.6 mtp -69.68 -28.78 66.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.947 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.81 -56.03 10.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.863 ' HA ' HD12 ' A' ' 412' ' ' ILE . 2.2 m -56.15 -36.72 68.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.98 0.419 . . . . 0.0 110.698 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.805 ' O ' HG22 ' A' ' 414' ' ' VAL . 14.4 tp -64.19 -47.36 80.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.624 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -61.52 -33.2 73.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.601 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.863 HD12 ' HA ' ' A' ' 409' ' ' THR . 10.5 mt -71.49 -37.41 64.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.282 179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -67.04 -47.86 70.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.648 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.34 -34.22 57.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.315 -179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.22 -25.34 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -20.14 10.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.315 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 11.9 t -74.46 -60.71 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.981 0.42 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 3.7 pt -66.71 131.32 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.429 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.909 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.688 0.28 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.29 111.42 2.91 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -55.32 147.93 53.62 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.428 2.086 . . . . 0.0 112.28 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.27 -12.58 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.235 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.698 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.2 m-85 -94.59 40.78 1.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.808 0.337 . . . . 0.0 110.828 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.1 p -124.88 119.62 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 47.8 t -67.75 112.49 10.6 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.437 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.482 ' HG2' ' HZ2' ' A' ' 399' ' ' LYS . 59.9 Cg_endo -73.93 -0.99 10.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.377 2.051 . . . . 0.0 113.342 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.482 ' HZ2' ' HG2' ' A' ' 398' ' ' PRO . 0.0 OUTLIER -89.19 -44.62 10.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.642 0.258 . . . . 0.0 111.067 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -128.02 -0.55 5.89 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.698 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 74.64 21.05 2.28 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.596 0.236 . . . . 0.0 111.383 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -71.56 153.31 42.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.608 179.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.23 133.23 56.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -107.33 146.72 33.83 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.129 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -67.72 -14.08 40.72 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.546 2.164 . . . . 0.0 112.316 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -155.85 -171.61 3.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.281 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.16 -29.76 24.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.863 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -68.98 -53.09 22.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.745 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.597 ' HA ' HD12 ' A' ' 412' ' ' ILE . 12.0 m -59.22 -36.69 75.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.654 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 11.1 tp -63.49 -43.02 98.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.614 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.76 -33.01 74.87 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.749 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 409' ' ' THR . 20.5 mt -73.7 -34.26 40.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.071 179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -67.09 -47.8 70.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.701 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.5 m -70.87 -36.0 62.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 12.8 mmm -53.46 -26.97 22.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.552 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -120.12 -27.4 5.31 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.613 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.8 t -57.73 -22.28 45.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.685 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.477 HG12 ' HE2' ' A' ' 399' ' ' LYS . 8.9 mt -96.28 130.73 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.15 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.952 179.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.722 0.296 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.11 153.79 66.98 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.504 2.136 . . . . 0.0 112.363 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.02 122.74 9.05 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.538 2.159 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -102.78 0.28 32.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.452 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.657 ' HA ' HD22 ' A' ' 410' ' ' LEU . 22.1 m-85 -95.02 45.11 1.1 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.898 0.38 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 16.9 p -116.78 120.53 38.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.066 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 414' ' ' VAL . 52.8 t -67.79 128.74 93.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.509 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -82.1 11.64 3.08 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.675 2.25 . . . . 0.0 113.444 -179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.415 ' HG3' HG12 ' A' ' 418' ' ' ILE . 11.7 mmtt -111.41 -37.82 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.704 0.288 . . . . 0.0 110.987 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 25.2 p -138.66 10.58 2.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.62 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 62.38 17.72 9.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.658 0.266 . . . . 0.0 111.426 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . 0.405 ' CE2' ' O ' ' A' ' 403' ' ' GLN . 46.6 t80 -58.42 142.64 47.89 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.405 ' O ' ' CE2' ' A' ' 402' ' ' TYR . 0.0 OUTLIER -91.5 146.81 23.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.809 179.852 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.491 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -130.28 141.18 41.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.11 -19.01 15.99 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.554 2.17 . . . . 0.0 112.385 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.94 -168.53 3.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.26 -31.51 14.05 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.025 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -67.56 -52.55 37.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.955 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.773 ' HA ' HD12 ' A' ' 412' ' ' ILE . 14.7 m -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.879 0.371 . . . . 0.0 110.416 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.812 ' O ' HG22 ' A' ' 414' ' ' VAL . 38.5 tp -63.42 -46.46 86.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.595 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.58 -33.47 73.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.606 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 409' ' ' THR . 14.9 mt -72.23 -36.83 57.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.128 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -67.07 -47.85 70.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.544 179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.812 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -71.34 -35.28 56.92 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.218 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.44 -26.91 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.379 -179.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.15 -27.4 5.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.665 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.8 t -58.04 -24.26 57.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.719 179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.415 HG12 ' HG3' ' A' ' 399' ' ' LYS . 6.2 mt -91.09 135.44 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.113 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.812 179.915 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 9.5 p . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.702 0.287 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.42 119.66 6.54 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.53 2.154 . . . . 0.0 112.182 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.52 111.29 2.72 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.441 2.094 . . . . 0.0 112.269 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -117.29 6.64 12.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.725 ' HA ' HD22 ' A' ' 410' ' ' LEU . 31.8 m-85 -98.57 44.44 1.03 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.844 0.354 . . . . 0.0 110.886 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.9 t -131.85 131.35 42.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.53 ' SG ' HG12 ' A' ' 414' ' ' VAL . 44.3 t -83.07 122.71 77.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.571 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -78.56 4.58 6.24 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.585 2.19 . . . . 0.0 113.281 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -101.28 -39.84 7.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.651 0.262 . . . . 0.0 111.094 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.0 p -137.47 10.34 2.95 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.752 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 64.97 15.32 9.9 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . 0.401 ' CZ ' ' O ' ' A' ' 403' ' ' GLN . 64.0 t80 -59.18 153.2 18.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.85 0.357 . . . . 0.0 110.72 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . 0.401 ' O ' ' CZ ' ' A' ' 402' ' ' TYR . 86.3 mt-30 -117.16 146.73 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.752 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -129.11 147.1 63.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.147 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.84 -15.16 43.44 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.557 2.171 . . . . 0.0 112.432 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.25 -167.23 2.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.429 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.85 -30.57 13.6 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.986 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -65.64 -56.05 14.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.493 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.3 m -58.47 -36.77 74.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 179.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.752 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 4.3 tp -65.07 -47.29 77.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.343 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -60.1 -37.81 81.08 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.71 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 409' ' ' THR . 21.6 mt -69.59 -32.22 51.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.312 179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -67.12 -47.75 70.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.772 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.53 HG12 ' SG ' ' A' ' 397' ' ' CYS . 3.0 m -70.74 -36.99 67.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.87 0.366 . . . . 0.0 111.367 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.7 mtt -53.05 -25.4 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.344 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.18 -27.41 5.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.653 -0.248 . . . . 0.0 111.442 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.53 -24.95 66.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.926 0.393 . . . . 0.0 110.552 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.406 HG12 ' HG3' ' A' ' 399' ' ' LYS . 12.5 mt -89.01 135.95 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.078 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.292 -0.861 . . . . 0.0 110.886 179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . 0.406 ' N ' ' HD2' ' A' ' 392' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 120.647 0.261 . . . . 0.0 111.454 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 393' ' ' PRO . 92.4 Cg_endo -82.01 135.75 8.85 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.576 2.184 . . . . 0.0 112.423 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 392' ' ' PRO . 50.9 Cg_exo -54.0 136.59 67.37 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.431 2.087 . . . . 0.0 112.239 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . 0.62 ' O ' HD22 ' A' ' 410' ' ' LEU . 4.7 m-20 -128.23 6.8 5.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.403 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.484 ' HA ' HD22 ' A' ' 410' ' ' LEU . 11.0 m-85 -114.53 30.92 6.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.657 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -114.77 133.02 56.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.228 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.5 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -96.12 114.6 64.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.448 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.83 -9.14 21.89 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.522 2.148 . . . . 0.0 113.161 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.411 ' HG3' ' CD1' ' A' ' 418' ' ' ILE . 3.7 mmmt -86.13 -44.63 12.08 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 18.5 p -137.79 13.12 2.92 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 397' ' ' CYS . 36.3 mm-40 63.96 16.08 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.59 0.233 . . . . 0.0 111.306 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 64.1 t80 -58.47 140.87 53.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.773 0.32 . . . . 0.0 110.803 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -108.68 107.68 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.829 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.758 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -81.46 145.96 56.39 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.256 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -67.07 -12.6 36.69 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.15 . . . . 0.0 112.398 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -156.62 152.37 27.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.217 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.423 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 28.2 mtm -56.98 -31.49 65.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.023 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -69.38 -49.28 56.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.524 ' HA ' HD12 ' A' ' 412' ' ' ILE . 44.1 m -60.01 -36.83 78.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.819 ' O ' HG22 ' A' ' 414' ' ' VAL . 5.7 tp -63.41 -46.24 87.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.547 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.5 -33.28 73.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.513 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 409' ' ' THR . 19.7 mt -76.12 -34.9 27.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 75.5 t60 -67.08 -47.85 69.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.514 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.819 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -68.32 -36.62 75.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.352 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.8 mtp -53.68 -27.26 26.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.504 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -119.46 -19.29 8.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.907 0.336 . . . . 0.0 111.907 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 51.0 t -58.07 -19.03 28.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.673 0.273 . . . . 0.0 111.197 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.451 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.2 OUTLIER -85.02 136.61 22.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.864 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.674 0.273 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.08 162.96 1.68 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.586 2.191 . . . . 0.0 112.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.64 178.13 4.8 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.501 2.134 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.19 6.47 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.386 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.427 ' HA ' HD22 ' A' ' 410' ' ' LEU . 21.4 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.953 0.406 . . . . 0.0 110.858 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 64.9 m -128.61 122.22 30.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.73 124.91 90.49 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.548 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -80.56 6.37 5.49 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.594 2.196 . . . . 0.0 113.277 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.405 ' HG3' HD12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -105.11 -36.75 7.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.567 0.222 . . . . 0.0 111.179 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.5 p -138.71 10.49 2.67 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 64.98 13.89 8.96 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -60.96 145.51 50.28 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.842 0.354 . . . . 0.0 110.633 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -112.93 136.31 52.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.999 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.789 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -112.1 150.48 42.5 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.26 -14.7 43.89 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.567 2.178 . . . . 0.0 112.336 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -155.6 -168.7 2.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.418 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 4.8 ttm -87.87 -30.81 19.88 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.84 0.353 . . . . 0.0 110.825 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -66.0 -56.04 13.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.721 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.628 ' HA ' HD12 ' A' ' 412' ' ' ILE . 22.7 m -58.35 -36.68 73.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.614 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.789 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.8 tp -65.77 -44.34 86.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.636 179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -31.06 71.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.919 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 409' ' ' THR . 17.5 mt -74.21 -35.06 39.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.075 0.464 . . . . 0.0 110.121 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 81.5 t60 -67.06 -47.87 69.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.795 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.746 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.5 OUTLIER -68.52 -33.52 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.509 -179.76 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -30.52 39.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.667 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.2 -20.69 7.26 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.544 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 44.2 t -53.8 -23.71 13.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.622 0.249 . . . . 0.0 111.263 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.499 ' N ' HD13 ' A' ' 418' ' ' ILE . 0.9 OUTLIER -81.27 125.58 39.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.823 0.344 . . . . 0.0 111.005 -179.828 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.885 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.692 0.282 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.05 138.49 53.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.52 2.147 . . . . 0.0 112.277 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.77 148.78 35.47 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.41 2.073 . . . . 0.0 112.281 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.77 -8.24 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.317 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.565 ' HA ' HD22 ' A' ' 410' ' ' LEU . 37.4 m-85 -94.52 42.18 1.09 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.7 m -130.77 132.12 45.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.111 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 401' ' ' GLN . 52.0 t -73.76 114.38 31.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.618 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -68.01 -6.84 18.1 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.504 2.136 . . . . 0.0 113.103 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.423 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -88.37 -44.62 10.63 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 -179.432 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 29.0 p -134.83 10.96 3.66 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 397' ' ' CYS . 8.8 mm-40 66.08 14.47 9.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -58.93 135.15 57.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.838 0.352 . . . . 0.0 110.579 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 146.85 23.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.55 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.71 144.15 51.2 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -67.89 -13.84 39.63 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.493 2.128 . . . . 0.0 112.343 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -161.63 175.63 11.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.318 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.4 ttt -74.37 -29.54 61.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -65.1 -55.95 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.675 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.712 ' HA ' HD12 ' A' ' 412' ' ' ILE . 79.4 m -58.52 -36.68 74.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.55 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.822 ' O ' HG22 ' A' ' 414' ' ' VAL . 20.2 tp -64.97 -45.46 85.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.523 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.74 -32.46 73.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.675 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 409' ' ' THR . 9.9 mt -74.3 -35.65 40.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.05 0.453 . . . . 0.0 110.046 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -67.23 -47.76 69.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.587 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.3 m -69.07 -34.96 66.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.419 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.29 -28.16 26.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.39 -179.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.24 -27.42 5.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.604 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.0 t -59.36 -23.12 62.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.34 . . . . 0.0 110.636 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.423 HG12 ' HG3' ' A' ' 399' ' ' LYS . 9.4 mt -93.15 135.43 27.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.874 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.528 0 CA-C-O 120.698 0.285 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -81.69 154.44 17.91 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.62 2.213 . . . . 0.0 112.456 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 122.43 9.01 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.557 2.171 . . . . 0.0 112.319 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.59 6.59 5.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.382 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.799 ' HA ' HD22 ' A' ' 410' ' ' LEU . 6.0 m-85 -94.56 46.6 1.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.826 0.346 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . 0.429 ' C ' HD11 ' A' ' 410' ' ' LEU . 0.5 OUTLIER -129.61 133.69 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.131 -179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.512 ' SG ' HG12 ' A' ' 414' ' ' VAL . 43.3 t -87.52 119.59 70.79 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.605 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -75.45 -1.1 10.89 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.478 2.119 . . . . 0.0 113.155 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.438 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -92.84 -43.38 9.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.76 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.5 p -136.55 11.01 3.2 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.747 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 68.92 11.87 8.47 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.52 0.2 . . . . 0.0 111.535 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.36 144.89 40.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.797 0.332 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -115.03 134.56 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.82 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.05 148.23 39.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.208 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.73 -13.06 38.42 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.59 2.193 . . . . 0.0 112.414 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -152.72 148.73 27.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.269 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.77 -28.26 65.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.962 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 78.8 m-20 -65.84 -55.93 14.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.437 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.1 m -59.24 -36.81 76.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.62 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.82 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 3.7 tp -65.73 -42.41 91.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.498 179.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -64.08 -31.46 72.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.423 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 409' ' ' THR . 31.8 mt -77.23 -34.63 21.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.768 179.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 76.2 t60 -67.21 -45.87 75.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.629 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.793 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.9 m -69.77 -36.68 71.03 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.408 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.47 -25.32 15.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.315 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.66 -27.28 5.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.686 -0.234 . . . . 0.0 111.568 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 50.9 t -56.97 -25.15 57.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.719 0.295 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.438 HG12 ' HG3' ' A' ' 399' ' ' LYS . 2.7 mt -83.12 121.25 35.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.988 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 3.9 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.555 0.216 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.64 155.46 58.91 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.47 2.114 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 158.59 56.45 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.524 2.149 . . . . 0.0 112.347 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.18 -15.7 56.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.352 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -93.82 39.42 1.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.724 0.297 . . . . 0.0 110.898 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -113.02 130.94 55.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.484 ' SG ' HG12 ' A' ' 414' ' ' VAL . 54.1 t -67.81 118.3 56.48 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.683 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -62.83 -14.88 43.48 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.438 2.092 . . . . 0.0 112.903 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 418' ' ' ILE . 0.3 OUTLIER -82.72 -44.78 15.23 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.119 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -137.68 14.65 2.93 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 397' ' ' CYS . 17.0 mp0 62.49 16.57 8.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.634 0.254 . . . . 0.0 111.362 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -58.35 129.66 43.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.842 0.354 . . . . 0.0 110.725 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -93.16 136.75 33.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.656 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -120.95 146.08 43.08 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.167 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.56 -13.42 38.95 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.515 2.144 . . . . 0.0 112.395 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -157.22 164.3 37.88 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 5.0 ttt -69.92 -29.6 66.8 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.982 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -62.89 -56.02 21.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.729 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 412' ' ' ILE . 59.5 m -60.45 -36.75 78.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.959 0.409 . . . . 0.0 110.36 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.857 ' O ' HG22 ' A' ' 414' ' ' VAL . 22.1 tp -65.97 -43.89 86.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.514 179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.95 -33.52 75.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.647 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 409' ' ' THR . 24.5 mt -74.12 -36.21 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.107 0.48 . . . . 0.0 109.984 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -67.12 -47.76 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.6 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.2 m -68.44 -35.35 70.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.83 0.348 . . . . 0.0 111.285 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -25.28 13.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -114.36 -15.67 12.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.462 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 3.1 t -76.94 -54.69 6.25 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.938 0.399 . . . . 0.0 111.129 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.439 HG22 ' CG ' ' A' ' 399' ' ' LYS . 6.0 pt -68.35 130.78 33.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.4 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.867 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.742 0.306 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' A' ' 393' ' ' PRO . 74.1 Cg_exo -49.66 110.94 0.42 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.615 2.21 . . . . 0.0 112.378 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 392' ' ' PRO . 41.5 Cg_endo -67.39 161.79 41.69 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.415 2.077 . . . . 0.0 112.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -129.69 7.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.492 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.523 ' HA ' HD22 ' A' ' 410' ' ' LEU . 29.1 m-85 -91.9 47.73 1.37 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.751 0.31 . . . . 0.0 110.798 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.8 m -129.65 132.38 46.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.158 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.465 ' SG ' HG12 ' A' ' 414' ' ' VAL . 53.4 t -82.57 114.42 51.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.539 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo -68.04 -6.41 17.07 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.557 2.171 . . . . 0.0 113.192 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.95 -44.72 9.7 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.9 p -133.55 11.25 4.08 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 397' ' ' CYS . 0.5 OUTLIER 65.1 14.2 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.74 179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.19 148.35 41.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.66 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -111.56 146.8 36.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.791 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -123.47 147.32 52.36 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.182 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -68.09 -13.51 38.32 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.483 2.122 . . . . 0.0 112.318 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.35 175.69 12.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.13 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.438 ' HG3' ' CE2' ' A' ' 395' ' ' PHE . 3.1 mtt -78.94 -29.81 44.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.782 0.325 . . . . 0.0 110.943 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.15 -52.37 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.7 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.429 ' HA ' HD12 ' A' ' 412' ' ' ILE . 27.7 m -59.07 -36.77 75.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.591 179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.791 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 1.9 tp -64.32 -46.71 82.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.509 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.85 -39.09 87.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.721 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 409' ' ' THR . 28.2 mt -68.14 -32.63 56.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.423 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -67.06 -47.15 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.663 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.465 HG12 ' SG ' ' A' ' 397' ' ' CYS . 4.6 m -69.15 -38.23 77.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.043 0.449 . . . . 0.0 111.425 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.14 -25.34 13.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.518 -179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -120.12 -27.23 5.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.604 0.24 . . . . 0.0 111.618 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 40.9 t -59.67 -25.15 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 110.84 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 5.2 mt -84.07 133.75 28.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.177 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.257 -0.878 . . . . 0.0 110.955 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.685 0.278 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -71.96 151.24 56.13 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.58 2.187 . . . . 0.0 112.335 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.6 136.78 26.47 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.495 2.13 . . . . 0.0 112.339 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.64 -7.52 15.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.37 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.773 ' HA ' HD22 ' A' ' 410' ' ' LEU . 42.9 m-85 -94.45 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.884 0.373 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 13.3 m -119.06 120.69 37.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.026 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.525 ' SG ' HG12 ' A' ' 414' ' ' VAL . 42.6 t -67.85 120.7 75.68 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.595 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.06 0.13 9.67 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.495 2.13 . . . . 0.0 113.019 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.436 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -95.66 -40.03 9.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.638 0.256 . . . . 0.0 111.236 -179.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.9 p -139.31 12.25 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 21.4 mp0 64.28 14.89 9.05 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -59.23 153.25 18.87 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.817 0.342 . . . . 0.0 110.609 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -118.68 146.17 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.799 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -128.6 147.39 63.96 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.15 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -65.95 -13.64 40.81 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.52 2.147 . . . . 0.0 112.377 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -152.69 -173.07 4.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.287 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -30.06 19.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -63.41 -56.02 19.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.777 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.462 ' HA ' HD12 ' A' ' 412' ' ' ILE . 36.4 m -60.25 -36.71 78.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.546 179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.799 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 2.5 tp -67.54 -42.19 83.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.571 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -67.02 -30.45 70.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.768 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 415' ' ' MET . 16.7 mt -77.17 -34.33 21.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.194 0.521 . . . . 0.0 110.183 179.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -67.3 -42.24 84.04 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.012 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 410' ' ' LEU . 2.0 m -73.42 -37.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 412' ' ' ILE . 0.2 OUTLIER -53.5 -25.32 16.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.627 -179.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -118.12 -27.33 6.12 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 43.3 t -58.58 -26.12 63.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.773 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.436 HG12 ' HG3' ' A' ' 399' ' ' LYS . 3.6 mt -83.16 126.3 40.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.97 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.734 0.302 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -73.36 153.12 50.35 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.563 2.175 . . . . 0.0 112.327 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.75 -165.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.62 2.213 . . . . 0.0 112.314 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.36 5.81 40.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.438 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.455 ' HA ' HD22 ' A' ' 410' ' ' LEU . 47.1 m-85 -97.78 44.82 1.03 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.83 0.347 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -113.97 122.88 48.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.72 124.1 88.53 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.531 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.53 5.49 5.51 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.538 2.159 . . . . 0.0 113.337 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.42 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -103.14 -38.16 7.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.701 0.286 . . . . 0.0 111.111 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 26.8 p -139.09 10.67 2.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.755 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 64.11 15.7 9.47 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.575 0.226 . . . . 0.0 111.572 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -58.56 136.15 57.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.805 0.336 . . . . 0.0 110.791 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.48 146.84 26.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -131.44 140.8 39.57 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.35 -21.03 15.64 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.531 2.154 . . . . 0.0 112.314 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.06 -164.5 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.581 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.52 -30.12 13.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 111.11 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -66.1 -56.08 13.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 10.5 m -58.29 -36.63 73.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.469 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.833 ' O ' HG22 ' A' ' 414' ' ' VAL . 28.9 tp -63.89 -45.93 87.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.45 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -61.31 -34.73 75.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.576 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.49 -36.67 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.054 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 75.8 t60 -67.06 -47.85 70.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.546 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.833 HG22 ' O ' ' A' ' 410' ' ' LEU . 1.7 m -71.25 -35.9 59.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.965 0.412 . . . . 0.0 111.257 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.1 mtt -53.35 -26.52 19.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.368 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.16 -27.4 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.698 -179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.14 -25.25 61.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.916 0.388 . . . . 0.0 110.68 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.42 HG12 ' HG3' ' A' ' 399' ' ' LYS . 6.6 mt -88.9 135.82 24.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.946 179.897 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.737 0.303 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.58 109.56 2.5 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.464 2.109 . . . . 0.0 112.184 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.98 152.5 80.21 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.441 2.094 . . . . 0.0 112.364 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 77.42 4.67 3.12 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.541 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.601 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.2 m-85 -108.67 28.29 8.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.814 0.34 . . . . 0.0 110.689 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 53.3 m -115.15 145.53 42.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 49.3 t -78.47 127.93 79.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.637 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -83.12 10.08 3.81 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.58 2.187 . . . . 0.0 113.179 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.697 ' HG3' HD12 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -109.5 -37.26 5.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.588 0.232 . . . . 0.0 111.131 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 24.9 p -138.15 11.22 2.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.616 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 63.02 16.31 9.17 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.624 0.249 . . . . 0.0 111.47 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -58.37 136.57 57.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.36 . . . . 0.0 110.798 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -89.12 146.2 24.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.519 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -128.78 138.08 32.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.329 -179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -74.82 -14.58 21.55 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.517 2.145 . . . . 0.0 112.298 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -152.34 168.72 24.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.196 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.465 ' CG ' ' CZ ' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -74.66 -30.34 61.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -179.867 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -68.19 -54.38 18.29 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.856 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.834 ' HA ' HD12 ' A' ' 412' ' ' ILE . 7.2 m -56.43 -36.71 69.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.749 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 414' ' ' VAL . 27.5 tp -63.47 -47.32 82.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.753 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -62.86 -30.99 71.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.763 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.834 HD12 ' HA ' ' A' ' 409' ' ' THR . 11.0 mt -74.01 -36.71 45.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.999 0.428 . . . . 0.0 110.19 179.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.402 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.9 t60 -66.95 -47.84 70.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.667 179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.8 OUTLIER -68.82 -34.76 66.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.295 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.43 -28.94 32.7 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.555 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -120.19 -21.53 6.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 43.6 t -52.61 -23.52 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.743 0.306 . . . . 0.0 111.099 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.697 HD12 ' HG3' ' A' ' 399' ' ' LYS . 0.3 OUTLIER -85.86 129.24 38.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.914 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . 0.407 ' N ' ' CD ' ' A' ' 392' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 120.582 0.23 . . . . 0.0 111.481 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 391' ' ' SER . 64.6 Cg_exo -51.37 137.16 47.83 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.491 2.127 . . . . 0.0 112.248 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.61 164.09 34.54 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.477 2.118 . . . . 0.0 112.346 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.81 -15.56 13.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.237 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -95.08 38.96 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.795 0.331 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.24 138.37 47.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 46.2 t -82.01 126.25 75.39 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.478 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.45 -0.62 9.51 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.564 2.176 . . . . 0.0 113.077 -179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.629 ' HG2' HG23 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -97.87 -44.61 6.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.615 0.245 . . . . 0.0 111.469 -179.514 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 5.4 p -133.62 13.2 4.09 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 62.85 16.46 9.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.591 0.234 . . . . 0.0 111.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -58.33 146.2 35.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.866 0.365 . . . . 0.0 110.702 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.17 109.78 18.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.774 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -83.9 148.5 54.19 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.27 -12.96 37.79 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.584 2.19 . . . . 0.0 112.423 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -158.15 170.15 22.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.065 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 1.1 ptm -69.31 -31.02 69.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.779 0.323 . . . . 0.0 110.861 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -68.92 -52.96 23.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.743 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.452 ' HA ' HD12 ' A' ' 412' ' ' ILE . 6.8 m -58.08 -36.68 73.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.66 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.791 ' O ' HG22 ' A' ' 414' ' ' VAL . 4.9 tp -63.99 -47.24 81.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.525 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . 0.401 ' HG3' ' HE3' ' A' ' 415' ' ' MET . 4.7 tp60 -60.78 -34.06 73.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.693 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 409' ' ' THR . 43.8 mt -71.77 -36.33 58.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.418 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 77.8 t60 -67.07 -48.06 69.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.616 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.791 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.4 OUTLIER -70.31 -33.76 55.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.279 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . 0.401 ' HE3' ' HG3' ' A' ' 411' ' ' GLN . 1.5 mtt -53.27 -25.35 14.16 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.19 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -120.11 -21.49 7.01 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 7.9 t -53.51 -22.84 8.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.922 0.391 . . . . 0.0 110.659 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.629 HG23 ' HG2' ' A' ' 399' ' ' LYS . 0.9 OUTLIER -115.07 119.02 60.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.123 -179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.912 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . 0.416 ' CB ' ' CD ' ' A' ' 392' ' ' PRO . 1.7 m . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 120.624 0.249 . . . . 0.0 111.517 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . 0.493 ' HB2' ' HB2' ' A' ' 395' ' ' PHE . 56.7 Cg_endo -70.34 172.45 13.18 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.451 2.101 . . . . 0.0 112.382 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . 0.408 ' O ' ' CD2' ' A' ' 395' ' ' PHE . 79.0 Cg_endo -78.43 88.08 1.48 Allowed 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.692 2.261 . . . . 0.0 113.11 -179.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.68 6.12 5.58 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.826 ' HA ' HD22 ' A' ' 410' ' ' LEU . 97.0 m-85 -104.28 41.42 1.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.888 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.45 130.89 41.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.056 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.499 ' O ' ' N ' ' A' ' 401' ' ' GLN . 50.8 t -67.96 118.51 59.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.752 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 397' ' ' CYS . 23.2 Cg_exo -64.39 -14.6 45.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.392 2.061 . . . . 0.0 112.822 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.426 ' HG2' HG22 ' A' ' 418' ' ' ILE . 0.1 OUTLIER -83.52 -44.9 14.18 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.08 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 9.4 p -131.29 10.4 4.87 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 397' ' ' CYS . 26.5 mm-40 62.44 18.05 10.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.696 0.284 . . . . 0.0 111.25 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -58.41 141.9 50.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.807 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.85 146.8 23.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.678 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.529 ' CB ' ' HB2' ' A' ' 410' ' ' LEU . . . -126.5 138.8 33.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.358 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.11 -16.1 35.98 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.39 2.06 . . . . 0.0 112.059 179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -152.32 -174.13 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.302 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -30.23 20.55 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.82 0.343 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -69.37 -52.77 23.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.787 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.754 ' HA ' HD12 ' A' ' 412' ' ' ILE . 24.8 m -56.74 -36.7 70.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.886 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.826 HD22 ' HA ' ' A' ' 395' ' ' PHE . 47.8 tp -64.07 -47.38 80.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.717 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -62.61 -33.25 74.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.754 HD12 ' HA ' ' A' ' 409' ' ' THR . 12.3 mt -71.47 -37.43 64.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.386 179.473 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 64.6 t60 -67.01 -47.96 69.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.552 179.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.796 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -70.01 -35.49 64.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.091 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 2.2 mtt -53.37 -25.26 14.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.197 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.05 -4.78 10.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.653 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 27.4 t -88.87 -49.31 6.88 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.936 0.398 . . . . 0.0 111.085 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.426 HG22 ' HG2' ' A' ' 399' ' ' LYS . 2.2 pt -68.98 119.06 14.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.346 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.876 -179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.664 0.268 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -48.54 104.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.583 2.188 . . . . 0.0 112.464 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -51.47 156.38 6.06 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.545 2.163 . . . . 0.0 112.307 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -114.92 -10.95 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.415 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.6 ' HA ' HD22 ' A' ' 410' ' ' LEU . 34.2 m-85 -93.97 41.85 1.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.851 0.358 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 26.3 p -131.37 121.65 25.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.204 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . 0.427 ' SG ' HG12 ' A' ' 414' ' ' VAL . 50.4 t -67.77 121.44 79.49 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.415 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.36 -11.03 28.06 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.352 2.035 . . . . 0.0 113.078 -179.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.447 ' CG ' HG22 ' A' ' 418' ' ' ILE . 0.0 OUTLIER -81.59 -44.75 16.82 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.891 0.33 . . . . 0.0 111.891 -179.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 15.1 p -133.07 4.28 3.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 397' ' ' CYS . 57.7 mm-40 62.17 70.82 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.951 0.405 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -114.6 122.4 46.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.736 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.11 122.08 26.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.58 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -109.35 143.53 27.94 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -70.29 -14.25 34.22 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.566 2.177 . . . . 0.0 112.395 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -155.44 146.62 22.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . 0.417 ' HG3' ' CD1' ' A' ' 395' ' ' PHE . 0.0 OUTLIER -57.0 -28.56 62.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.029 -179.721 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -63.88 -56.05 18.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.754 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.564 ' HA ' HD12 ' A' ' 412' ' ' ILE . 9.5 m -58.65 -36.85 74.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.602 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.784 ' O ' HG22 ' A' ' 414' ' ' VAL . 3.1 tp -66.39 -45.96 78.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.327 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -33.21 72.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.381 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.564 HD12 ' HA ' ' A' ' 409' ' ' THR . 25.9 mt -73.67 -35.77 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.975 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' A' ' 417' ' ' CYS . 27.2 t60 -67.2 -47.74 69.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.578 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.784 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.7 OUTLIER -70.14 -35.58 64.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.239 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 5.8 mtp -53.45 -25.91 18.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.299 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -120.26 7.65 10.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.515 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 413' ' ' HIS . 23.2 t -106.39 -45.7 4.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.836 0.35 . . . . 0.0 110.992 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.447 HG22 ' CG ' ' A' ' 399' ' ' LYS . 7.7 pt -79.83 131.06 35.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.326 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.943 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.704 0.287 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.15 152.85 67.46 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.508 2.139 . . . . 0.0 112.322 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.94 168.96 22.46 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.553 2.169 . . . . 0.0 112.275 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -111.02 -18.39 13.05 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.782 ' HA ' HD22 ' A' ' 410' ' ' LEU . 7.9 m-85 -95.43 36.12 1.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 0.0 110.799 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -112.77 119.48 38.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.152 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 41.9 t -67.92 122.21 82.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.617 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.98 3.65 6.83 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.533 2.155 . . . . 0.0 113.307 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.98 -37.72 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.572 0.225 . . . . 0.0 111.22 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 30.8 p -137.32 10.06 2.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.749 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.82 14.17 9.0 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 179.585 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -60.5 153.25 23.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.329 . . . . 0.0 110.658 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.84 136.5 53.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.978 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.785 ' HB3' ' HB2' ' A' ' 410' ' ' LEU . . . -114.57 149.64 42.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.058 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.28 -14.27 42.33 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.553 2.168 . . . . 0.0 112.425 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -154.38 -166.94 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.505 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -90.82 -30.96 16.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.97 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -56.05 12.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.856 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . . . . . . . . . 36.7 m -58.36 -36.67 73.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.945 0.402 . . . . 0.0 110.479 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.785 ' HB2' ' HB3' ' A' ' 404' ' ' ALA . 6.0 tp -64.29 -46.53 83.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.291 179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.99 -38.73 87.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.743 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . . . . . . . . . 40.3 mt -68.54 -32.21 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.33 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -67.05 -47.72 70.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.838 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . . . . . . . . . 3.4 m -69.71 -37.29 73.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 121.002 0.429 . . . . 0.0 111.401 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 33.1 mtp -53.14 -26.0 15.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.438 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -120.11 -27.34 5.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.688 -0.233 . . . . 0.0 111.593 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 42.2 t -59.2 -24.43 63.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.919 0.39 . . . . 0.0 110.686 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . . . . . . . . . 8.3 mt -90.45 135.57 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.069 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.95 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 391' ' ' SER . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 392' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.41 174.46 10.83 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.599 2.2 . . . . 0.0 112.286 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 393' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_exo -51.88 168.74 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.59 2.193 . . . . 0.0 112.206 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 394' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -96.33 -100.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 395' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 410' ' ' LEU . 26.5 m-85 46.7 27.58 0.68 Allowed 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.705 0.288 . . . . 0.0 111.186 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 396' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.03 133.02 56.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 111.132 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 397' ' ' CYS . . . . . . . . . . . . . 53.6 t -71.03 127.99 91.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 398' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -82.55 12.48 2.87 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.656 2.238 . . . . 0.0 113.289 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 399' ' ' LYS . . . . . 0.413 ' HG3' HG12 ' A' ' 418' ' ' ILE . 0.4 OUTLIER -111.47 -39.35 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.753 0.311 . . . . 0.0 110.959 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 400' ' ' CYS . . . . . . . . . . . . . 28.1 p -136.44 9.37 3.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.618 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 64.16 16.47 10.04 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.563 0.22 . . . . 0.0 111.423 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 402' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -58.94 130.81 48.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 403' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -75.77 146.88 39.69 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.734 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 404' ' ' ALA . . . . . 0.576 ' CB ' HD13 ' A' ' 410' ' ' LEU . . . -129.33 126.25 22.85 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.367 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 405' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.25 -15.21 20.34 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 406' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.42 144.14 26.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.32 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' MET . . . . . . . . . . . . . 2.5 tpp -59.36 -32.35 70.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.097 -179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.26 -56.02 13.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.767 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' THR . . . . . 0.678 ' HA ' HD12 ' A' ' 412' ' ' ILE . 56.7 m -56.09 -36.68 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.501 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' LEU . . . . . 0.768 ' O ' HG22 ' A' ' 414' ' ' VAL . 26.3 tp -60.36 -46.88 88.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.733 179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -62.66 -31.19 72.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.801 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 409' ' ' THR . 30.3 mt -73.64 -36.84 48.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.255 179.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -67.08 -47.8 70.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.63 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 0.768 HG22 ' O ' ' A' ' 410' ' ' LEU . 0.9 OUTLIER -69.02 -34.2 62.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.413 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -28.87 28.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.406 -179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.23 -27.32 5.29 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.774 0.287 . . . . 0.0 111.774 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' CYS . . . . . . . . . . . . . 49.3 t -57.69 -25.76 60.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' ILE . . . . . 0.413 HG12 ' HG3' ' A' ' 399' ' ' LYS . 7.6 mt -87.36 132.85 31.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.086 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.891 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1420 ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_