data_2lex_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 2lex _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 412' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.1 m-20 -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.426 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.4 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.41 ' CG ' HG22 ' A' ' 436' ' ' THR . 31.0 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.428 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . 0.414 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.408 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.428 ' HE2' ' CE3' ' A' ' 414' ' ' TRP . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.505 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.434 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.42 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 443' ' ' LYS . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 441' ' ' VAL . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.6 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 463' ' ' HIS . 1.6 m-30 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.502 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.577 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.433 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.457 HG22 ' CE1' ' A' ' 465' ' ' HIS . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 436' ' ' THR . 26.3 p80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.0 m-85 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.4 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.626 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 443' ' ' LYS . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.456 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.498 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 33.7 m-70 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 465' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 432' ' ' TYR . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 416' ' ' LYS . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.473 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.509 ' CE1' ' CZ ' ' A' ' 412' ' ' TYR . 34.9 p80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.48 ' CE2' ' CG ' ' A' ' 463' ' ' HIS . 66.2 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.508 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.508 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.414 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.1 p80 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.416 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.402 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.418 ' CD ' ' N ' ' A' ' 447' ' ' ARG . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 15.1 p80 . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.426 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' THR . . . . . 0.446 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.421 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 13.7 m-70 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 27.0 p80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.605 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.427 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.417 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 436' ' ' THR . 28.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 420' ' ' LYS . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.659 ' O ' ' N ' ' A' ' 427' ' ' TYR . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.458 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.441 ' CG ' ' HG2' ' A' ' 429' ' ' ARG . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.409 ' CD2' HG23 ' A' ' 436' ' ' THR . 16.6 p80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 413' ' ' ARG . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.469 ' CE1' ' CB ' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.469 ' CB ' ' CE1' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 432' ' ' TYR . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.9 p80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.412 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.612 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.458 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 15.0 p80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.652 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.652 ' H ' ' C ' ' A' ' 423' ' ' LYS . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 443' ' ' LYS . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 456' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.508 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 445' ' ' VAL . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.521 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.414 ' CD2' HG22 ' A' ' 436' ' ' THR . 28.5 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . 0.421 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 443' ' ' LYS . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.485 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 429' ' ' ARG . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.474 ' CB ' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 16.8 p80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.474 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.598 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.474 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . 0.48 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 432' ' ' TYR . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.456 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 25.6 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.473 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.676 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.471 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.473 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 438' ' ' GLY . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 436' ' ' THR . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.411 ' HB1' ' OD1' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.43 ' ND1' HG22 ' A' ' 436' ' ' THR . 9.3 p80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.657 ' O ' ' N ' ' A' ' 427' ' ' TYR . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 443' ' ' LYS . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.1 m80 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 465' ' ' HIS . 35.2 p80 . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.401 ' OH ' ' CG ' ' A' ' 463' ' ' HIS . 1.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.581 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . 0.457 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 24.3 p80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 427' ' ' TYR . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLU . . . . . 0.405 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' TYR . . . . . 0.412 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' HIS . . . . . 0.465 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 42.4 m-70 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' HIS . . . . . 0.424 ' CD2' HG22 ' A' ' 436' ' ' THR . 34.2 p80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 407' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.36 124.47 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.68 94.77 9.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -91.84 -7.85 48.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.042 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.587 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 125.48 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.918 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.5 m-85 166.78 168.24 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.426 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.409 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.413 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.1 m-20 -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.472 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.409 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.426 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.4 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.4 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.582 ' O ' ' O ' ' A' ' 466' ' ' ASP . 31.0 p80 -163.01 47.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.582 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER 44.07 168.1 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.349 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 412' ' ' TYR . 0.4 OUTLIER -84.31 109.13 17.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.431 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 8.1 Cg_exo -72.4 -171.7 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.596 2.197 . . . . 0.0 112.337 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.063 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.256 0 O5'-C5'-C4' 111.08 0.628 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.323 1.874 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.614 0.653 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.421 H2'' ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.346 0.746 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.421 ' C6 ' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.594 1.394 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 106.728 0.571 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.621 0.658 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.477 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 105.447 1.962 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-O3' 111.348 0.476 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.446 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.566 0 C3'-C2'-C1' 105.5 2.0 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.476 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.466 1.241 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.709 1.509 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.706 1.433 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.44 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 101.996 -0.503 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.091 -0.435 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-O3' 111.378 0.49 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.942 0.401 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mt -74.9 92.62 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -94.15 149.15 21.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 412' ' ' TYR . 2.0 p-10 -108.84 16.72 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.41 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 103.03 22.2 9.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.095 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.406 ' CE2' ' OD2' ' A' ' 410' ' ' ASP . 19.6 m-85 -125.67 -168.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.428 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . 0.414 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.574 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.507 ' CD1' ' C7 ' ' C' ' 24' ' ' ' DT' . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.516 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.408 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.428 ' HE2' ' CE3' ' A' ' 414' ' ' TRP . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.41 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.505 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.434 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.42 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.515 ' O ' ' C ' ' A' ' 466' ' ' ASP . 27.1 p80 -150.49 56.09 0.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.515 ' C ' ' O ' ' A' ' 465' ' ' HIS . 2.0 m-20 12.08 -86.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.28 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.55 121.88 6.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.401 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -81.14 88.09 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.424 2.083 . . . . 0.0 112.304 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.097 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.562 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.778 0 C3'-C2'-C1' 105.255 1.825 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.562 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 103.921 0.721 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.414 ' H71' ' HG2' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.533 0.595 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.437 H2'' ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.82 0 C3'-C2'-C1' 105.052 1.68 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.466 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C3'-C2'-C1' 101.973 -0.519 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 101.917 -0.559 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.519 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.706 0.718 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C4'-C3'-C2' 104.038 0.838 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-O3' 111.339 0.472 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.708 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.517 -0.315 0 O5'-C5'-C4' 111.196 0.711 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.708 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 105.342 1.887 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.495 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.409 1.209 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.507 ' C7 ' ' CD1' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 104.842 1.53 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.424 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.424 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 106.901 0.728 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 101.924 -0.554 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.429 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C4'-C3' 105.997 0.397 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.429 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 106.838 0.671 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.422 HD12 ' CD2' ' A' ' 432' ' ' TYR . 19.0 mt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.56 -35.29 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 2.7 t0 179.3 131.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.247 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 34.51 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.129 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 87.22 -12.82 61.39 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -128.54 -164.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.437 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.422 ' CD2' HD12 ' A' ' 407' ' ' LEU . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' O ' ' A' ' 441' ' ' VAL . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -154.58 150.46 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -74.26 175.82 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -67.49 123.03 85.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.691 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -73.78 85.95 1.27 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.309 2.006 . . . . 0.0 112.343 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.885 . . . . 0.0 111.093 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.831 1.631 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.409 -0.861 0 C3'-C2'-C1' 105.057 1.684 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.431 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.606 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.263 1.831 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.606 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 102.041 -0.47 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 106.808 0.644 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.466 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.584 -0.616 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.474 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.573 0.624 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.474 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.447 1.212 0 C4'-C3'-O3' 111.932 0.742 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.409 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.343 0 O5'-C5'-C4' 111.082 0.63 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.467 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.464 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.776 0 C4'-C3'-C2' 105.04 1.84 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.604 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 104.84 1.528 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.604 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 102.124 -0.411 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C1'-O4'-C4' 110.377 0.484 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.532 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.532 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.496 0.568 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.405 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 105.994 0.394 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.405 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.86 0.691 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.468 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.1 tt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.78 -155.92 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -120.84 41.89 3.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.057 0.456 . . . . 0.0 110.417 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -89.4 -19.21 25.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.644 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 120.68 78.88 0.54 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.776 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.644 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-30 163.34 172.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.433 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.427 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.502 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.577 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.502 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.468 ' CE1' ' HB2' ' A' ' 407' ' ' LEU . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.457 HG22 ' CE1' ' A' ' 465' ' ' HIS . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.403 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.483 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.457 ' CE1' HG22 ' A' ' 436' ' ' THR . 26.3 p80 -172.24 158.09 4.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -75.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.824 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -168.2 119.7 0.68 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.702 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.4 ' HD3' ' CE1' ' A' ' 465' ' ' HIS . 37.7 Cg_exo -59.89 82.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.463 2.109 . . . . 0.0 112.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.009 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.595 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.62 0 C3'-C2'-C1' 105.309 1.864 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.595 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.099 0.499 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.44 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.713 0.557 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.452 " H2'" ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.654 1.396 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.452 ' C6 ' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C5'-C4'-O4' 108.805 -0.372 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.45 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.642 -0.558 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.439 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.648 -0.552 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.509 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.806 0.79 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.509 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 101.948 -0.537 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.307 -0.893 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.335 0 C3'-C2'-C1' 101.814 -0.633 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.716 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 104.569 1.335 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.716 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 C4'-C3'-C2' 103.792 0.592 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.461 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 104.95 1.607 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.413 ' C5 ' " H2'" ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.55 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 106.768 0.607 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.548 0.606 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.145 0.545 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-O3' 111.345 0.475 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.842 0.353 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.26 49.02 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 410' ' ' ASP . 0.5 OUTLIER -82.5 -170.23 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . 0.616 ' CB ' ' O ' ' A' ' 409' ' ' ASP . 63.2 t0 114.18 -44.19 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.722 0.809 . . . . 0.0 109.664 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -78.48 -81.89 0.66 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.429 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.0 m-85 -129.13 154.37 46.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.4 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.626 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.419 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 443' ' ' LYS . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.456 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.494 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.494 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.498 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 33.7 m-70 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.456 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 -159.86 153.92 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.81 158.69 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.419 HD11 ' CE1' ' A' ' 412' ' ' TYR . 3.2 mm? -80.72 112.99 36.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.0 -168.55 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.531 2.154 . . . . 0.0 112.296 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.05 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.459 H2'' ' C5 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.436 -0.243 0 O5'-C5'-C4' 110.986 0.561 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.459 ' C5 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.276 0.412 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 106.854 0.685 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.512 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.512 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.464 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 102.086 -0.439 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.427 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 102.788 -0.412 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.474 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.954 0.777 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.474 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C4'-C3'-C2' 103.86 0.66 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.416 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.449 0.279 0 O5'-C5'-C4' 111.061 0.615 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.606 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.89 1.564 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.606 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.464 H2'' ' C5 ' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.464 ' C5 ' H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.797 0.633 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C4'-C3'-C2' 102.499 -0.701 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.874 0.703 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.462 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.462 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C4'-C3' 105.948 0.348 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.427 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 106.889 0.717 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.066 0.46 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 0.3 OUTLIER 66.49 -83.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.613 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 414' ' ' TRP . 1.0 OUTLIER 68.13 59.88 0.43 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 409' ' ' ASP . 29.3 t70 35.43 -102.79 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -144.49 26.9 1.97 Allowed Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -89.12 152.34 21.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.617 -179.148 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.535 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . 0.412 ' HG3' ' C7 ' ' B' ' 5' ' ' ' DT' . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 432' ' ' TYR . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.882 ' O ' ' H73' ' B' ' 7' ' ' ' DT' . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.485 ' CE ' ' N7 ' ' C' ' 23' ' ' ' DG' . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.553 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.473 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.445 ' CE2' ' HB3' ' A' ' 416' ' ' LYS . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.422 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.535 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.431 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.473 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.416 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.509 ' CE1' ' CZ ' ' A' ' 412' ' ' TYR . 34.9 p80 -161.15 143.86 12.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.59 -179.33 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.614 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -68.86 123.15 87.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.661 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -74.19 79.61 2.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.398 2.066 . . . . 0.0 112.428 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.427 -0.796 . . . . 0.0 111.304 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.464 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.439 -0.647 0 C3'-C2'-C1' 105.354 1.896 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.464 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 102.15 -0.393 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.412 ' C7 ' ' HG3' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C1'-O4'-C4' 110.513 0.58 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.41 ' OP2' ' NZ ' ' A' ' 416' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.049 1.678 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.882 ' H73' ' O ' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.575 1.375 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.477 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.48 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.654 0.682 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 N19-C1'-C2' 115.153 0.596 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.749 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.631 0 C3'-C2'-C1' 105.261 1.829 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.749 " O5'" H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C3'-C2'-C1' 103.903 0.86 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.709 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.901 0.701 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.403 " H2'" ' C5 ' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.873 1.552 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.431 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.718 0.562 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.431 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.449 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.952 0.775 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.449 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.442 0.53 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.481 H2'' ' N7 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.117 -0.417 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.481 ' N7 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.962 0.784 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.917 0.389 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.61 49.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 43.97 62.49 1.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.716 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -72.27 -15.42 61.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.37 -29.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.189 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.48 ' CE2' ' CG ' ' A' ' 463' ' ' HIS . 66.2 m-85 -113.97 -173.9 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.508 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' SER . . . . . 0.458 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.508 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.418 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.448 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.42 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.579 ' O ' ' O ' ' A' ' 466' ' ' ASP . 21.1 p80 -141.59 55.52 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.579 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.3 OUTLIER 27.0 -158.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.61 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.424 HD13 ' CE1' ' A' ' 412' ' ' TYR . 0.2 OUTLIER -95.41 108.87 42.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.54 84.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.564 2.176 . . . . 0.0 112.374 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.161 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.442 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.449 0.29 0 O5'-C5'-C4' 111.059 0.614 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.677 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 105.382 1.916 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.677 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.287 0.42 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.515 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.515 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C1'-O4'-C4' 110.237 0.384 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.591 0.447 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.452 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 102.117 -0.416 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.486 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.97 -0.521 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.437 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.436 -0.764 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.247 0 O5'-C5'-C4' 110.96 0.543 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.687 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 103.926 0.876 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.687 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 103.955 0.755 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 105.17 1.764 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.578 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.544 ' C6 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 106.692 0.538 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.493 0.566 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.417 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.417 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.943 0.402 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -23.28 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -176.4 125.62 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -121.31 14.37 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 112.26 -16.39 24.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.586 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -124.92 153.59 42.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.448 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.423 ' O ' ' H71' ' B' ' 7' ' ' ' DT' . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.606 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.402 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.448 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.416 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.416 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.402 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.468 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.418 ' CD ' ' N ' ' A' ' 447' ' ' ARG . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.43 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.468 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.428 ' HD1' ' H ' ' A' ' 466' ' ' ASP . 15.1 p80 -127.41 -121.8 0.24 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.441 ' O ' ' HD3' ' A' ' 468' ' ' PRO . 4.7 t0 -165.0 -178.01 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.69 111.26 13.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.637 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 91.2 Cg_endo -80.95 80.05 3.13 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.482 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.316 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.461 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.333 0 O5'-C5'-C4' 111.02 0.586 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.461 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.034 0.834 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.406 ' OP2' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.629 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.522 1.301 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.629 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.286 0.419 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.488 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.019 0.836 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.712 0.556 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.506 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 106.827 0.661 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.506 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.503 1.303 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.427 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C4'-C3'-O3' 111.275 0.443 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.426 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.45 0.403 0 O5'-C5'-C4' 111.085 0.632 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.226 1.804 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.466 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.351 1.893 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.642 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.642 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.301 0.43 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.441 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 106.821 0.656 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.402 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.281 0.415 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.427 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.427 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.67 0.518 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.0 22.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 37.02 65.01 0.53 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.252 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -70.9 -12.21 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.777 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 155.29 -32.28 0.65 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.954 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -119.94 -169.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.426 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.402 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.426 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.452 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.447 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.493 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' THR . . . . . 0.446 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . 0.446 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.421 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 13.7 m-70 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -151.58 149.4 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.402 ' O ' HD21 ' A' ' 467' ' ' LEU . 15.4 t70 -72.55 -84.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.402 HD21 ' O ' ' A' ' 466' ' ' ASP . 0.1 OUTLIER -137.95 129.74 16.13 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.03 114.28 3.99 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.377 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.557 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.569 0 C3'-C2'-C1' 105.237 1.812 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.557 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.12 -0.414 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.438 ' C6 ' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.473 0.552 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.608 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 105.398 1.927 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.608 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.459 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 102.123 -0.412 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.484 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.642 0.493 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 105.411 1.936 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.42 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-O3' 111.394 0.497 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.251 0 N19-C1'-C2' 115.267 0.667 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.754 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.624 0.66 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.754 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 103.97 0.77 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.461 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.401 ' C5 ' " H2'" ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 106.678 0.525 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 106.779 0.617 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 106.835 0.668 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.417 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 103.611 0.411 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.417 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.741 0.582 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 144.74 28.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -36.67 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.49 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.43 11.49 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.549 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.402 ' O ' ' HD2' ' A' ' 468' ' ' PRO . . . 146.59 -24.41 1.67 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.041 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -118.09 -173.66 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.417 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.433 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.449 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . 0.427 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.605 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.427 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.449 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.433 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.417 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.406 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.44 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.405 ' HB3' ' HA ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.467 ' CE1' HG22 ' A' ' 436' ' ' THR . 28.2 p80 -166.51 154.28 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.563 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.6 OUTLIER -50.89 -70.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.305 179.134 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.563 ' HB3' ' O ' ' A' ' 466' ' ' ASP . 0.7 OUTLIER 146.05 159.93 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.678 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . 0.402 ' HD2' ' O ' ' A' ' 411' ' ' GLY . 7.4 Cg_endo -90.47 116.0 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.272 2.648 . . . . 0.0 112.075 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.139 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.632 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.607 0 C3'-C2'-C1' 105.05 1.679 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.632 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 103.736 0.536 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.262 0.401 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 N19-C1'-C2' 115.092 0.558 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.999 0.799 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.264 0.403 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.091 0.891 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.478 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.645 0.675 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.471 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 104.241 1.041 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 101.85 -0.607 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.282 0 O5'-C5'-C4' 111.122 0.659 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.46 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.478 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 106.128 0.528 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 105.189 1.778 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.646 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.446 0.533 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 106.0 0.4 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.159 0.559 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.471 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.471 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 103.941 0.741 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-O3' 111.267 0.439 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 23.9 tp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 1.2 tp -89.99 -10.04 46.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.465 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 408' ' ' LEU . 4.5 t0 178.04 131.66 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 111.521 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -128.25 18.91 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.203 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.98 -19.32 15.56 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.05 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -116.53 -172.71 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.405 ' N ' ' HG3' ' A' ' 420' ' ' LYS . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.659 ' O ' ' N ' ' A' ' 427' ' ' TYR . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.471 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.458 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.441 ' CG ' ' HG2' ' A' ' 429' ' ' ARG . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.409 ' CD2' HG23 ' A' ' 436' ' ' THR . 16.6 p80 -172.0 161.82 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.15 174.4 10.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 118.29 68.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.166 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.446 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.322 0 C1'-O4'-C4' 110.389 0.492 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.495 " H2'" ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 105.427 1.948 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.495 ' C5 ' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C1'-O4'-C4' 110.627 0.662 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.448 ' H73' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.609 1.364 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 106.569 0.426 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.448 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.478 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.858 0 C4'-C3'-C2' 104.829 1.629 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.441 ' N6 ' ' C4 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-O3' 111.363 0.483 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.578 0 C3'-C2'-C1' 105.41 1.936 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.82 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.651 0.68 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.82 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.442 1.959 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.749 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.749 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 101.852 -0.606 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.488 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.599 0.642 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.746 0.588 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.412 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 410' ' ' ASP . 0.3 OUTLIER -73.2 64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.76 94.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.262 0.553 . . . . 0.0 111.285 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 408' ' ' LEU . 2.0 t0 -164.18 45.44 0.11 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.466 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 177.78 -56.34 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.48 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -123.14 150.29 43.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.454 ' HA ' ' HD3' ' A' ' 413' ' ' ARG . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.469 ' CE1' ' CB ' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . 0.406 ' O ' ' H73' ' B' ' 7' ' ' ' DT' . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.429 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.469 ' CB ' ' CE1' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.404 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.459 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 432' ' ' TYR . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.428 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -145.45 146.83 31.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.14 -72.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.619 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -155.83 142.24 13.2 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.685 179.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.16 82.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.457 2.105 . . . . 0.0 112.146 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.116 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.676 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.622 0 C3'-C2'-C1' 104.995 1.639 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.676 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.413 H2'' ' C6 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.714 0.558 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.463 H2'' ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.801 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.463 ' C6 ' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C4'-C3'-C2' 103.826 0.626 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.462 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.566 -0.81 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.474 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.528 -0.672 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.519 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.084 0.895 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.407 0.505 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C4'-C3'-C2' 102.677 -0.523 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.432 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.355 0 C3'-C2'-C1' 101.817 -0.63 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.66 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 105.371 1.908 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.66 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.746 0.747 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.593 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.681 1.415 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.593 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 102.19 -0.364 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.444 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.095 0.368 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.444 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.216 -0.346 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.412 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.985 0.421 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 tp -97.66 -80.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.209 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.05 53.68 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 0.0 111.956 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -53.35 -25.29 14.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.012 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -156.86 -51.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 -139.9 166.36 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . 0.437 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.412 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . 0.481 ' NH2' ' H61' ' C' ' 26' ' ' ' DA' . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.612 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.466 ' CG2' ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.458 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.493 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.493 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -153.84 149.41 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.58 175.5 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 114.29 20.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.12 83.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.149 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.125 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.45 0.341 0 N19-C1'-C2' 115.508 0.818 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.564 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.439 1.956 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.564 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.334 0.453 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.621 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.593 1.352 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.621 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.494 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 106.743 0.585 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 106.986 0.805 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.482 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.482 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 103.836 0.636 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-O3' 111.376 0.489 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.499 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.414 0 O4'-C1'-C2' 106.575 0.432 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.499 ' C8 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 105.73 2.164 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.472 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.938 0.762 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.963 1.616 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.442 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.678 0.526 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.481 ' H61' ' NH2' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.937 0.761 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 106.354 0.754 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C4'-C3' 106.136 0.536 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.446 1.152 0 C4'-C3'-O3' 111.83 0.695 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.25 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.09 -101.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -109.61 42.6 1.45 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.61 -25.27 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 412' ' ' TYR . . . -147.36 -70.2 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.458 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 -142.82 167.1 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.481 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.652 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.652 ' H ' ' C ' ' A' ' 423' ' ' LYS . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.426 ' O ' ' N ' ' A' ' 443' ' ' LYS . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.521 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 456' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.508 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 445' ' ' VAL . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.521 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.504 ' O ' ' C ' ' A' ' 466' ' ' ASP . 28.5 p80 -154.53 54.41 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.504 ' C ' ' O ' ' A' ' 465' ' ' HIS . 1.9 m-20 14.03 -85.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.148 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.409 ' N ' ' O ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER -141.02 119.26 8.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.537 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -45.22 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.6 2.2 . . . . 0.0 112.413 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.86 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.683 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.626 0 C3'-C2'-C1' 104.878 1.556 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.683 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.775 -0.661 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.423 " H2'" ' C7 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.132 1.737 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.423 ' C7 ' " H2'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C1'-O4'-C4' 110.406 0.504 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.502 1.302 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.472 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.546 0.604 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.515 ' C5 ' ' N6 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 105.162 1.758 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-O3' 111.493 0.542 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 0.193 0 N19-C1'-C2' 115.47 0.794 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.618 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 104.839 1.528 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.618 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.531 0.594 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.428 ' C7 ' ' CE2' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 105.453 1.967 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.588 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.455 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C5'-C4'-O4' 108.8 -0.375 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.023 0.423 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.595 0.64 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.961 -0.528 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.07 87.38 2.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.99 142.1 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -93.75 21.14 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 86.45 32.23 16.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -110.29 179.46 4.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . 0.421 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.403 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 443' ' ' LYS . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.485 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.485 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.439 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 429' ' ' ARG . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.474 ' CB ' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.439 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -153.06 151.29 30.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.99 173.81 7.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.7 111.14 6.71 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.886 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.52 80.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.384 2.056 . . . . 0.0 112.148 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.074 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.437 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.284 0 O5'-C5'-C4' 111.055 0.611 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.468 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 105.36 1.9 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.468 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.453 ' C6 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.421 ' C6 ' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 106.879 0.708 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.498 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.724 0.567 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.498 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.566 0.618 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.471 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 115.239 0.649 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-O3' 111.326 0.467 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.761 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.635 0 C3'-C2'-C1' 105.196 1.783 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.776 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 103.943 0.743 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.776 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.597 0.397 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.465 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 105.125 1.732 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.772 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 105.24 1.814 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.772 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.62 -0.58 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.537 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 106.705 0.55 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.113 -0.419 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 106.621 0.474 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.454 ' CD2' ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.053 0.454 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.32 -2.94 13.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.79 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.4 t0 67.75 37.3 3.27 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.981 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -60.41 -19.59 56.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.706 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 117.16 4.44 16.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -114.26 -175.33 2.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.474 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.437 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.598 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.431 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' SER . . . . . 0.431 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.474 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.48 ' OG1' ' HB3' ' A' ' 439' ' ' CYS . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . 0.48 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 432' ' ' TYR . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.439 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.456 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.509 ' O ' ' C ' ' A' ' 466' ' ' ASP . 25.6 p80 -158.84 53.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 465' ' ' HIS . 0.8 OUTLIER 13.96 -87.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.23 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.49 119.27 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -88.71 87.08 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.83 2.353 . . . . 0.0 112.615 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.064 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.452 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.372 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.452 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 105.219 1.799 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.451 H2'' ' C6 ' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.811 0.646 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.451 ' C6 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.459 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.459 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 106.721 0.565 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.434 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.24 0.386 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.55 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.86 0.829 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.55 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 103.924 0.724 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-O3' 111.286 0.448 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.64 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.518 -0.248 0 O5'-C5'-C4' 111.096 0.64 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.64 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 105.516 2.012 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.526 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 102.075 -0.446 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 105.407 1.934 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.778 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 105.822 2.23 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.778 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.229 -0.971 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.536 ' N7 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.099 0.909 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N7 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.447 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 102.064 -0.454 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.447 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 106.93 0.755 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.918 0.389 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 408' ' ' LEU . 0.0 OUTLIER -147.92 164.71 32.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.22 109.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.51 5.68 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.285 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 128.22 -15.55 6.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -125.48 154.96 41.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.473 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . 0.427 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.676 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.44 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.471 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.473 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 438' ' ' GLY . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.406 ' HD2' HG23 ' A' ' 436' ' ' THR . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.439 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.42 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.45 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.411 ' HB1' ' OD1' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.43 ' ND1' HG22 ' A' ' 436' ' ' THR . 9.3 p80 -154.35 -122.71 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -149.9 168.24 24.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.6 tt -78.06 129.43 75.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.213 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.14 76.49 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.78 2.32 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.027 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.437 -0.196 0 O5'-C5'-C4' 111.111 0.651 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.141 0.941 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.485 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 105.359 1.899 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.485 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.131 -0.406 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.434 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.786 -0.414 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.489 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.077 0.888 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.489 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.935 -0.546 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.534 -0.666 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.364 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.482 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.236 1.811 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.475 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.29 0.422 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.43 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.991 1.636 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.43 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C1'-O4'-C4' 110.374 0.481 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.428 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.404 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.009 0.826 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.404 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.464 0.546 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.776 0.614 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 11.1 tp -128.88 104.9 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -93.83 105.91 17.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.24 3.71 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.293 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 139.74 -13.95 3.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.672 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -116.54 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.434 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.424 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.657 ' O ' ' N ' ' A' ' 427' ' ' TYR . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.424 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.412 ' O ' ' HG2' ' A' ' 443' ' ' LYS . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.434 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.42 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.421 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.1 m80 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 466' ' ' ASP . 35.2 p80 -151.54 47.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.614 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER 14.92 -142.03 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.179 179.406 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.04 124.15 57.06 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.277 . . . . 0.0 110.508 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.51 98.96 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.536 2.158 . . . . 0.0 112.793 -179.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.955 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.644 H2'' " O4'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.652 0 C3'-C2'-C1' 105.029 1.663 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.716 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.716 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.441 0.529 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.647 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 105.353 1.895 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.647 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.187 0.348 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.45 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 106.106 0.506 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.514 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.99 0.79 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.514 ' OP2' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.469 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.94 0 C4'-C3'-C2' 104.855 1.655 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.461 ' N6 ' ' C4 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.171 0 C4'-C3'-O3' 112.131 0.832 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.436 -0.271 0 N19-C1'-C2' 115.435 0.772 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.807 H2'' " O4'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.824 1.517 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.807 " O4'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 105.01 1.81 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 105.302 1.859 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.44 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.44 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.991 0.81 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.652 0.501 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 106.058 0.458 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-O3' 111.194 0.407 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.412 HD22 ' CZ ' ' A' ' 432' ' ' TYR . 3.5 mt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 93.38 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.628 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.01 105.34 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.56 28.97 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.332 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . 0.442 ' O ' ' CD2' ' A' ' 412' ' ' TYR . . . 128.14 64.23 0.13 Allowed Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.57 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.442 ' CD2' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-85 176.48 158.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.484 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.428 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.581 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.428 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . 0.472 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.484 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . 0.457 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.442 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -122.29 142.3 50.62 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -50.55 -61.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.057 0.456 . . . . 0.0 111.02 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 16.7 mt -161.3 159.57 23.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.467 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.24 82.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.481 2.12 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.004 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.354 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.601 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.425 1.946 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . 0.601 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.497 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.431 1.21 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.497 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.442 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 106.853 0.685 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.478 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.603 0.457 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.478 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C1'-O4'-C4' 110.715 0.725 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.478 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 N19-C1'-C2' 115.245 0.653 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.438 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.148 0 C4'-C3'-O3' 112.033 0.788 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.538 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.434 -0.375 0 O5'-C5'-C4' 110.815 0.439 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.786 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 104.015 0.815 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.786 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 103.905 0.705 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . 0.496 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.757 1.469 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.415 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.61 0.65 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.415 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.001 0.819 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . 0.4 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.414 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.401 0.501 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.414 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 102.105 -0.425 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.942 0.766 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 407' ' ' LEU . . . . . 0.423 ' CD1' ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.722 0.296 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.44 141.34 28.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -33.99 114.17 0.19 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.917 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -95.02 23.31 5.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.26 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 121.96 -20.49 8.1 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.572 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 -118.36 151.51 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' VAL . . . . . 0.41 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' LYS . . . . . 0.556 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' ASN . . . . . 0.654 ' O ' ' N ' ' A' ' 427' ' ' TYR . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ARG . . . . . 0.41 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' PRO . . . . . 0.417 ' HD2' ' CG2' ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' LYS . . . . . 0.412 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' HIS . . . . . 0.497 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLU . . . . . 0.405 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' ARG . . . . . 0.443 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' THR . . . . . 0.425 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' VAL . . . . . 0.405 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' TYR . . . . . 0.412 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' HIS . . . . . 0.465 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 42.4 m-70 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' HIS . . . . . 0.424 ' CD2' HG22 ' A' ' 436' ' ' THR . 34.2 p80 -159.64 152.53 21.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.7 OUTLIER -52.21 -71.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' LEU . . . . . 0.572 ' HB3' ' O ' ' A' ' 466' ' ' ASP . 0.7 OUTLIER 163.53 161.31 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.337 179.069 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.34 73.87 5.03 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.958 2.438 . . . . 0.0 112.032 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.036 -179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.635 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.528 0.499 0 C3'-C2'-C1' 105.298 1.856 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' DC' . . . . . 0.635 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.92 0.72 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.479 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.416 1.94 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.501 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.501 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.479 0.557 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.429 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.484 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.839 0.814 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.484 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 104.157 0.957 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.409 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-O3' 111.456 0.525 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.327 0 C3'-C2'-C1' 101.874 -0.59 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DG' . . . . . 0.75 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 103.978 0.778 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ' DG' . . . . . 0.75 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C4'-C3' 106.113 0.513 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.807 1.505 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ' DC' . . . . . 0.463 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 106.731 0.574 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.22 0.371 . . . . 0.58999999999999997 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ' DA' . . . . . 0.4 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.081 -0.442 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ' DG' . . . . . 0.467 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.015 0.415 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ' DG' . . . . . 0.467 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 106.847 0.679 . . . . 0.58999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 0.6 OUTLIER -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.487 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.813 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HD3' ' HD3' ' A' ' 433' ' ' LYS . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.404 HG13 ' CG1' ' A' ' 455' ' ' VAL . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.404 ' CG1' HG13 ' A' ' 445' ' ' VAL . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.813 ' CE1' HG21 ' A' ' 436' ' ' THR . 31.0 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.417 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.441 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.479 HG13 ' HD3' ' A' ' 429' ' ' ARG . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.654 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.479 ' HD3' HG13 ' A' ' 422' ' ' VAL . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 436' ' ' THR . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 435' ' ' THR . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.53 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.654 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.434 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.739 HH12 HG21 ' A' ' 435' ' ' THR . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 443' ' ' LYS . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.739 HG21 HH12 ' A' ' 415' ' ' ARG . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.659 HG22 ' CD ' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.659 ' CD ' HG22 ' A' ' 436' ' ' THR . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 62.0 m80 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.419 ' CG ' HG21 ' A' ' 436' ' ' THR . 20.6 p-80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 463' ' ' HIS . 1.6 m-30 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.458 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.458 HG13 HH11 ' A' ' 429' ' ' ARG . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.829 ' HB3' HG12 ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 422' ' ' VAL . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.574 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 461' ' ' GLY . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.587 ' HB2' HG22 ' A' ' 456' ' ' VAL . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.586 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.41 ' HG3' ' OH ' ' A' ' 427' ' ' TYR . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.587 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.467 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLY . . . . . 0.414 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 436' ' ' THR . 26.3 p80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.0 m-85 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.68 ' HB3' HG12 ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 443' ' ' LYS . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.794 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 446' ' ' GLU . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 432' ' ' TYR . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.455 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.699 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' A' ' 422' ' ' VAL . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 416' ' ' LYS . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.452 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.518 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.4 p-80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.48 ' CE2' ' CG ' ' A' ' 463' ' ' HIS . 66.2 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.474 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.451 ' HG ' ' CE1' ' A' ' 463' ' ' HIS . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.806 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.561 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.806 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.1 p80 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.664 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.664 ' HD2' HG22 ' A' ' 436' ' ' THR . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.534 ' HB3' ' CE1' ' A' ' 465' ' ' HIS . 43.7 m80 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.534 ' CE1' ' HB3' ' A' ' 463' ' ' HIS . 15.5 p-80 . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CD2' ' HB2' ' A' ' 434' ' ' CYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 442' ' ' ARG . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 457' ' ' THR . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.73 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.449 HG23 HG22 ' A' ' 445' ' ' VAL . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 436' ' ' THR . 27.0 p80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.741 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.741 ' HD2' HG13 ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.44 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.731 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.436 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 454' ' ' ALA . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.54 ' HB2' ' OD2' ' A' ' 451' ' ' ASP . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 446' ' ' GLU . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.731 ' CG ' HG21 ' A' ' 436' ' ' THR . 28.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.667 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.534 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.667 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.475 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.407 ' HB3' ' CE1' ' A' ' 465' ' ' HIS . 54.2 m80 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.407 ' CE1' ' HB3' ' A' ' 463' ' ' HIS . 6.1 p-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.469 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 456' ' ' VAL . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 446' ' ' GLU . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 48.9 m80 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.402 ' CE1' HG21 ' A' ' 436' ' ' THR . 24.7 p-80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 413' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.787 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 457' ' ' THR . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 445' ' ' VAL . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.65 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 436' ' ' THR . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.652 HG21 ' NE2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 460' ' ' GLU . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.556 ' HB2' HG22 ' A' ' 456' ' ' VAL . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 441' ' ' VAL . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 463' ' ' HIS . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 462' ' ' LYS . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.652 ' NE2' HG21 ' A' ' 436' ' ' THR . 28.5 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.429 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.668 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 436' ' ' THR . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.437 ' CB ' HG22 ' A' ' 456' ' ' VAL . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.494 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.426 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.84 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 434' ' ' CYS . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 430' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 436' ' ' THR . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.438 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 432' ' ' TYR . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.871 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 455' ' ' VAL . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 454' ' ' ALA . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 436' ' ' THR . 25.6 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 416' ' ' LYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.698 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.493 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.708 HG21 ' CD2' ' A' ' 465' ' ' HIS . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 439' ' ' CYS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 461' ' ' GLY . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' VAL . . . . . 0.423 HG13 ' CG1' ' A' ' 455' ' ' VAL . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.592 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.47 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 445' ' ' VAL . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.592 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLY . . . . . 0.475 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 465' ' ' HIS . 48.5 m80 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.708 ' CD2' HG21 ' A' ' 436' ' ' THR . 35.4 p-80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' ARG . . . . . 0.425 ' HE ' HG21 ' A' ' 435' ' ' THR . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.762 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 443' ' ' LYS . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' THR . . . . . 0.425 HG21 ' HE ' ' A' ' 415' ' ' ARG . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.593 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.9 m-70 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.762 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.593 ' CG ' HG21 ' A' ' 436' ' ' THR . 35.2 p80 . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.417 ' HB3' ' NE1' ' A' ' 414' ' ' TRP . 1.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 429' ' ' ARG . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 428' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.443 ' HD2' HG13 ' A' ' 422' ' ' VAL . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' TYR . . . . . 0.485 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 458' ' ' THR . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.403 ' NE2' HG21 ' A' ' 436' ' ' THR . 24.3 p80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 422' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 425' ' ' ASN . . . . . 0.74 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ARG . . . . . 0.426 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 434' ' ' CYS . . . . . 0.476 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . 0.621 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 437' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 447' ' ' ARG . . . . . 0.462 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' HIS . . . . . 0.621 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.2 p80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.36 124.47 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.68 94.77 9.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -91.84 -7.85 48.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.042 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.587 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 125.48 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.918 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.5 m-85 166.78 168.24 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.506 ' HA3' ' H72' ' C' ' 24' ' ' ' DT' . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 0.6 OUTLIER -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.487 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.813 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HD3' ' HD3' ' A' ' 433' ' ' LYS . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.404 HG13 ' CG1' ' A' ' 455' ' ' VAL . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.404 ' CG1' HG13 ' A' ' 445' ' ' VAL . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.813 ' CE1' HG21 ' A' ' 436' ' ' THR . 31.0 p80 -163.01 47.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.582 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER 44.07 168.1 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.349 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 467' ' ' LEU . 0.4 OUTLIER -84.31 109.13 17.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 8.1 Cg_exo -72.4 -171.7 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.596 2.197 . . . . 0.0 112.337 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.063 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.256 0 O5'-C5'-C4' 111.08 0.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.467 " H2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.323 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.467 ' H71' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.614 0.653 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.43 H2'' ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.346 0.746 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.43 ' C6 ' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.594 1.394 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 106.728 0.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.621 0.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.477 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 105.447 1.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.408 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-O3' 111.348 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.458 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.566 0 C3'-C2'-C1' 105.5 2.0 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.476 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.466 1.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.709 1.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.506 ' H72' ' HA3' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.706 1.433 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.447 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.447 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 101.996 -0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.091 -0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-O3' 111.378 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.942 0.401 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mt -74.9 92.62 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -94.15 149.15 21.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 412' ' ' TYR . 2.0 p-10 -108.84 16.72 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.41 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 103.03 22.2 9.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.095 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.406 ' CE2' ' OD2' ' A' ' 410' ' ' ASP . 19.6 m-85 -125.67 -168.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.417 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.441 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.479 HG13 ' HD3' ' A' ' 429' ' ' ARG . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.654 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.479 ' HD3' HG13 ' A' ' 422' ' ' VAL . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.507 ' CD1' ' C7 ' ' C' ' 24' ' ' ' DT' . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 436' ' ' THR . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 435' ' ' THR . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.53 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.654 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.434 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.515 ' O ' ' C ' ' A' ' 466' ' ' ASP . 27.1 p80 -150.49 56.09 0.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.542 ' O ' HD22 ' A' ' 467' ' ' LEU . 2.0 m-20 12.08 -86.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.28 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.5 OUTLIER -144.55 121.88 6.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.401 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 467' ' ' LEU . 99.0 Cg_endo -81.14 88.09 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.424 2.083 . . . . 0.0 112.304 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.097 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.778 0 C3'-C2'-C1' 105.255 1.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.624 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 103.921 0.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 ' H71' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.533 0.595 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.59 " H2'" ' H72' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.82 0 C3'-C2'-C1' 105.052 1.68 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.59 ' H72' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C3'-C2'-C1' 101.973 -0.519 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 101.917 -0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.53 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.706 0.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.53 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C4'-C3'-C2' 104.038 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-O3' 111.339 0.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.715 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.517 -0.315 0 O5'-C5'-C4' 111.196 0.711 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.715 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 105.342 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.495 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.409 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.507 ' C7 ' ' CD1' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 104.842 1.53 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.43 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.43 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 106.901 0.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 101.924 -0.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.43 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C4'-C3' 105.997 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.43 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 106.838 0.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 432' ' ' TYR . 19.0 mt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.56 -35.29 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 2.7 t0 179.3 131.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.247 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 34.51 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.129 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 87.22 -12.82 61.39 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -128.54 -164.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.739 HH12 HG21 ' A' ' 435' ' ' THR . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 407' ' ' LEU . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.739 HG21 HH12 ' A' ' 415' ' ' ARG . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.659 HG22 ' CD ' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.659 ' CD ' HG22 ' A' ' 436' ' ' THR . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.6 p80 -154.58 150.46 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -74.26 175.82 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 468' ' ' PRO . 2.1 mm? -67.49 123.03 85.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.691 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.528 ' HD2' HD13 ' A' ' 467' ' ' LEU . 62.0 Cg_endo -73.78 85.95 1.27 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.309 2.006 . . . . 0.0 112.343 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.885 . . . . 0.0 111.093 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.831 1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.724 " H2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.861 0 C3'-C2'-C1' 105.057 1.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.745 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.745 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.263 1.831 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.623 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 102.041 -0.47 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.494 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 106.808 0.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.475 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.584 -0.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.481 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.573 0.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.447 1.212 0 C4'-C3'-O3' 111.932 0.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.415 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.343 0 O5'-C5'-C4' 111.082 0.63 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.467 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.464 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.776 0 C4'-C3'-C2' 105.04 1.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.628 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 104.84 1.528 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.628 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 102.124 -0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C1'-O4'-C4' 110.377 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.532 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.532 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.496 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.406 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 105.994 0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.406 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.86 0.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.1 tt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.78 -155.92 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -120.84 41.89 3.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.057 0.456 . . . . 0.0 110.417 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -89.4 -19.21 25.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.644 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 120.68 78.88 0.54 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.776 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.644 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-30 163.34 172.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.458 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.458 HG13 HH11 ' A' ' 429' ' ' ARG . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.829 ' HB3' HG12 ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 422' ' ' VAL . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 407' ' ' LEU . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 468' ' ' PRO . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 461' ' ' GLY . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.587 ' HB2' HG22 ' A' ' 456' ' ' VAL . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.586 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.41 ' HG3' ' OH ' ' A' ' 427' ' ' TYR . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.587 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.467 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLY . . . . . 0.414 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 436' ' ' THR . 26.3 p80 -172.24 158.09 4.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -75.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.824 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -168.2 119.7 0.68 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.702 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 467' ' ' LEU . 37.7 Cg_exo -59.89 82.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.463 2.109 . . . . 0.0 112.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.009 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.62 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.62 0 C3'-C2'-C1' 105.309 1.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.62 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.099 0.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.713 0.557 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.624 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.654 1.396 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.452 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C5'-C4'-O4' 108.805 -0.372 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.452 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.642 -0.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.446 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.648 -0.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.51 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.806 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.51 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 101.948 -0.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.307 -0.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.335 0 C3'-C2'-C1' 101.814 -0.633 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.717 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 104.569 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.717 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 C4'-C3'-C2' 103.792 0.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.467 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 104.95 1.607 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.406 ' C5 ' " H2'" ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.4 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.55 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 106.768 0.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.548 0.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.145 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-O3' 111.345 0.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 432' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.842 0.353 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.26 49.02 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 410' ' ' ASP . 0.5 OUTLIER -82.5 -170.23 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.616 ' CB ' ' O ' ' A' ' 409' ' ' ASP . 63.2 t0 114.18 -44.19 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.722 0.809 . . . . 0.0 109.664 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -78.48 -81.89 0.66 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.429 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.573 ' CE1' HD13 ' A' ' 467' ' ' LEU . 22.0 m-85 -129.13 154.37 46.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.68 ' HB3' HG12 ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.424 ' CZ ' HD11 ' A' ' 407' ' ' LEU . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.794 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 446' ' ' GLU . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 33.7 m-70 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 -159.86 153.92 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.81 158.69 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 412' ' ' TYR . 3.2 mm? -80.72 112.99 36.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.0 -168.55 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.531 2.154 . . . . 0.0 112.296 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.05 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.464 H2'' ' C5 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.436 -0.243 0 O5'-C5'-C4' 110.986 0.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.496 " C2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.276 0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.496 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 106.854 0.685 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 102.086 -0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.435 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 102.788 -0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.481 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.954 0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C4'-C3'-C2' 103.86 0.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.422 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.449 0.279 0 O5'-C5'-C4' 111.061 0.615 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.629 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.89 1.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.629 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.466 H2'' ' C5 ' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.466 ' C5 ' H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.797 0.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C4'-C3'-C2' 102.499 -0.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.874 0.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.461 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C4'-C3' 105.948 0.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.428 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 106.889 0.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 432' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.066 0.46 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 0.3 OUTLIER 66.49 -83.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.613 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 414' ' ' TRP . 1.0 OUTLIER 68.13 59.88 0.43 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 409' ' ' ASP . 29.3 t70 35.43 -102.79 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -144.49 26.9 1.97 Allowed Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -89.12 152.34 21.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.617 -179.148 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.576 ' HG3' ' H71' ' B' ' 5' ' ' ' DT' . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.479 ' HG3' ' H73' ' B' ' 6' ' ' ' DT' . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.467 ' O ' ' H73' ' B' ' 7' ' ' ' DT' . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 428' ' ' PRO . 3.9 tp60 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.485 ' CE ' ' N7 ' ' C' ' 23' ' ' ' DG' . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.455 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.699 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' A' ' 422' ' ' VAL . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.73 ' CE1' HD21 ' A' ' 407' ' ' LEU . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.611 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.461 ' HE3' HD11 ' A' ' 407' ' ' LEU . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 407' ' ' LEU . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.452 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 -161.15 143.86 12.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.59 -179.33 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.614 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' A' ' 468' ' ' PRO . 1.7 mm? -68.86 123.15 87.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.661 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.571 ' HD2' HD13 ' A' ' 467' ' ' LEU . 64.4 Cg_endo -74.19 79.61 2.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.398 2.066 . . . . 0.0 112.428 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.427 -0.796 . . . . 0.0 111.304 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.466 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.439 -0.647 0 C3'-C2'-C1' 105.354 1.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.552 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 102.15 -0.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.645 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C1'-O4'-C4' 110.513 0.58 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.645 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.049 1.678 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.467 ' H73' ' O ' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.575 1.375 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.405 ' O6 ' ' HA2' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.483 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.483 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.654 0.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 N19-C1'-C2' 115.153 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.771 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.631 0 C3'-C2'-C1' 105.261 1.829 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.771 " O5'" H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C3'-C2'-C1' 103.903 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.713 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.901 0.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.401 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.873 1.552 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.435 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.718 0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.435 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.449 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.952 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.449 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.442 0.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.487 H2'' ' N7 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.117 -0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.487 ' N7 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.962 0.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.461 ' N ' ' HZ1' ' A' ' 443' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.917 0.389 . . . . 0.0 111.083 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.61 49.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 43.97 62.49 1.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.716 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -72.27 -15.42 61.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.37 -29.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.189 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.817 ' OH ' HD22 ' A' ' 467' ' ' LEU . 66.2 m-85 -113.97 -173.9 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.474 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.806 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.461 ' HZ1' ' N ' ' A' ' 407' ' ' LEU . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.561 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.806 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.1 p80 -141.59 55.52 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.579 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.3 OUTLIER 27.0 -158.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.61 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.817 HD22 ' OH ' ' A' ' 412' ' ' TYR . 0.2 OUTLIER -95.41 108.87 42.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.54 84.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.564 2.176 . . . . 0.0 112.374 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.161 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.449 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.449 0.29 0 O5'-C5'-C4' 111.059 0.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 105.382 1.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.686 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.287 0.42 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C1'-O4'-C4' 110.237 0.384 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.403 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.591 0.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.458 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 102.117 -0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.488 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.97 -0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.436 -0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.247 0 O5'-C5'-C4' 110.96 0.543 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.692 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 103.926 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.692 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 103.955 0.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.448 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 105.17 1.764 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.57 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.544 ' C6 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 106.692 0.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.493 0.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.419 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.419 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.943 0.402 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -23.28 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -176.4 125.62 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -121.31 14.37 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 112.26 -16.39 24.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.586 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -124.92 153.59 42.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.531 ' N ' ' H71' ' B' ' 7' ' ' ' DT' . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.664 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.664 ' HD2' HG22 ' A' ' 436' ' ' THR . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.489 ' HD1' ' H ' ' A' ' 466' ' ' ASP . 15.1 p80 -127.41 -121.8 0.24 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.489 ' H ' ' HD1' ' A' ' 465' ' ' HIS . 4.7 t0 -165.0 -178.01 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.69 111.26 13.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.637 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 91.2 Cg_endo -80.95 80.05 3.13 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.482 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.316 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.466 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.333 0 O5'-C5'-C4' 111.02 0.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.466 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.034 0.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.464 ' H72' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.646 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.522 1.301 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.646 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.286 0.419 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.019 0.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.712 0.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.514 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 106.827 0.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.514 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.503 1.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.431 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C4'-C3'-O3' 111.275 0.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.432 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.45 0.403 0 O5'-C5'-C4' 111.085 0.632 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.226 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.466 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.351 1.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.665 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.665 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.301 0.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 106.821 0.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.281 0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.428 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.428 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.67 0.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.0 22.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 37.02 65.01 0.53 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.252 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -70.9 -12.21 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.777 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 155.29 -32.28 0.65 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.954 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.402 ' HE1' HD22 ' A' ' 467' ' ' LEU . 22.9 m-85 -119.94 -169.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CD2' ' HB2' ' A' ' 434' ' ' CYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.407 ' HG2' ' C7 ' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 442' ' ' ARG . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 457' ' ' THR . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.73 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.449 HG23 HG22 ' A' ' 445' ' ' VAL . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 13.7 m-70 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 436' ' ' THR . 27.0 p80 -151.58 149.4 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -72.55 -84.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.598 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.1 OUTLIER -137.95 129.74 16.13 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' A' ' 467' ' ' LEU . 61.2 Cg_endo -75.03 114.28 3.99 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.377 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.569 0 C3'-C2'-C1' 105.237 1.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.632 " C2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.12 -0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.632 ' H71' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.473 0.552 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.611 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 105.398 1.927 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.611 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.463 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 102.123 -0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.484 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.642 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 105.411 1.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.435 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-O3' 111.394 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.251 0 N19-C1'-C2' 115.267 0.667 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.759 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.624 0.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.759 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 103.97 0.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.468 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 106.678 0.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 106.779 0.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 106.835 0.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.42 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 103.611 0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.42 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.741 0.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 144.74 28.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -36.67 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.49 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.43 11.49 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.549 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 468' ' ' PRO . . . 146.59 -24.41 1.67 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.041 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -118.09 -173.66 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.741 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.741 ' HD2' HG13 ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.44 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.731 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.436 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 454' ' ' ALA . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.54 ' HB2' ' OD2' ' A' ' 451' ' ' ASP . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 446' ' ' GLU . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.731 ' CG ' HG21 ' A' ' 436' ' ' THR . 28.2 p80 -166.51 154.28 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.6 OUTLIER -50.89 -70.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.305 179.134 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 467' ' ' LEU . 0.7 OUTLIER 146.05 159.93 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.678 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 411' ' ' GLY . 7.4 Cg_endo -90.47 116.0 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.272 2.648 . . . . 0.0 112.075 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.139 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.656 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.607 0 C3'-C2'-C1' 105.05 1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.656 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 103.736 0.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.456 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.262 0.401 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 N19-C1'-C2' 115.092 0.558 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.999 0.799 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.264 0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.091 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.478 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.645 0.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.477 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 104.241 1.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 101.85 -0.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.282 0 O5'-C5'-C4' 111.122 0.659 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.46 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.478 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 106.128 0.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 105.189 1.778 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.639 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.446 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 106.0 0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.159 0.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.47 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 103.941 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-O3' 111.267 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 445' ' ' VAL . 23.9 tp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 1.2 tp -89.99 -10.04 46.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.465 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 408' ' ' LEU . 4.5 t0 178.04 131.66 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 111.521 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -128.25 18.91 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.203 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.98 -19.32 15.56 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.05 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -116.53 -172.71 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.667 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.585 HG21 HD23 ' A' ' 407' ' ' LEU . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.534 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.667 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.475 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 436' ' ' THR . 16.6 p80 -172.0 161.82 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.15 174.4 10.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 467' ' ' LEU . 0.2 OUTLIER -74.7 118.29 68.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.897 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.166 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.453 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.322 0 C1'-O4'-C4' 110.389 0.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.485 " H2'" ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 105.427 1.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.485 ' C5 ' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C1'-O4'-C4' 110.627 0.662 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.453 ' H73' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.609 1.364 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 106.569 0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.455 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.463 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.858 0 C4'-C3'-C2' 104.829 1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.443 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-O3' 111.363 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.578 0 C3'-C2'-C1' 105.41 1.936 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.824 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.651 0.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.824 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.442 1.959 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.767 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.767 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 101.852 -0.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.488 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.599 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.746 0.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 445' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.412 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 410' ' ' ASP . 0.3 OUTLIER -73.2 64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.76 94.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.262 0.553 . . . . 0.0 111.285 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 408' ' ' LEU . 2.0 t0 -164.18 45.44 0.11 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.466 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 177.78 -56.34 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.48 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -123.14 150.29 43.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 407' ' ' LEU . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 456' ' ' VAL . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 446' ' ' GLU . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 -145.45 146.83 31.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.14 -72.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.619 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 468' ' ' PRO . 0.1 OUTLIER -155.83 142.24 13.2 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.685 179.7 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 467' ' ' LEU . 32.5 Cg_exo -58.16 82.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.457 2.105 . . . . 0.0 112.146 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.116 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.687 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.622 0 C3'-C2'-C1' 104.995 1.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.722 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.722 ' H71' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.714 0.558 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.48 " H2'" ' H71' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.801 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.48 ' H71' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C4'-C3'-C2' 103.826 0.626 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.464 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.566 -0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.48 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.528 -0.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.519 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.084 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.407 0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C4'-C3'-C2' 102.677 -0.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.442 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.355 0 C3'-C2'-C1' 101.817 -0.63 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.678 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 105.371 1.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.678 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.746 0.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.61 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.681 1.415 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.61 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 102.19 -0.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.449 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.44 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.095 0.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.44 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.216 -0.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.411 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.985 0.421 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 tp -97.66 -80.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.209 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.05 53.68 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 0.0 111.956 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -53.35 -25.29 14.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.012 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -156.86 -51.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 -139.9 166.36 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.826 ' NH1' ' H71' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.787 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 457' ' ' THR . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 445' ' ' VAL . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 15.0 p80 -153.84 149.41 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.58 175.5 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 114.29 20.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.12 83.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.149 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.125 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.45 0.341 0 N19-C1'-C2' 115.508 0.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.439 1.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.826 ' H71' ' NH1' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.334 0.453 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.64 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.593 1.352 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.64 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 106.743 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 106.986 0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.49 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.49 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 103.836 0.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-O3' 111.376 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.507 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.414 0 O4'-C1'-C2' 106.575 0.432 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.507 ' C8 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 105.73 2.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.938 0.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.963 1.616 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.447 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.678 0.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.487 ' H62' ' NH2' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.937 0.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 106.354 0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.401 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C4'-C3' 106.136 0.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.446 1.152 0 C4'-C3'-O3' 111.83 0.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 407' ' ' LEU . 7.8 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.09 -101.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -109.61 42.6 1.45 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.61 -25.27 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 412' ' ' TYR . . . -147.36 -70.2 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.458 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 -142.82 167.1 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.65 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 436' ' ' THR . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.652 HG21 ' NE2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 460' ' ' GLU . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.556 ' HB2' HG22 ' A' ' 456' ' ' VAL . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 441' ' ' VAL . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 463' ' ' HIS . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 462' ' ' LYS . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.652 ' NE2' HG21 ' A' ' 436' ' ' THR . 28.5 p80 -154.53 54.41 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.672 ' O ' HD22 ' A' ' 467' ' ' LEU . 1.9 m-20 14.03 -85.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.148 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 466' ' ' ASP . 0.7 OUTLIER -141.02 119.26 8.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.537 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.545 ' HD2' HD13 ' A' ' 467' ' ' LEU . 84.1 Cg_exo -45.22 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.6 2.2 . . . . 0.0 112.413 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.86 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.706 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.626 0 C3'-C2'-C1' 104.878 1.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.706 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.775 -0.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.509 " H2'" ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.132 1.737 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.509 ' H71' " H2'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C1'-O4'-C4' 110.406 0.504 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.506 ' H71' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.502 1.302 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.472 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.546 0.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.515 ' C5 ' ' N6 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 105.162 1.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-O3' 111.493 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 0.193 0 N19-C1'-C2' 115.47 0.794 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.638 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 104.839 1.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.638 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.531 0.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.428 ' C7 ' ' CE2' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 105.453 1.967 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.582 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C5'-C4'-O4' 108.8 -0.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.023 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.595 0.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.961 -0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 445' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.07 87.38 2.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.99 142.1 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 410' ' ' ASP . . . . . 0.575 ' O ' HD11 ' A' ' 467' ' ' LEU . 25.7 t0 -93.75 21.14 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 86.45 32.23 16.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -110.29 179.46 4.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.429 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.668 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 436' ' ' THR . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.445 HG11 HD21 ' A' ' 407' ' ' LEU . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.437 ' CB ' HG22 ' A' ' 456' ' ' VAL . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.494 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.426 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.84 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -153.06 151.29 30.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.99 173.81 7.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 410' ' ' ASP . 0.3 OUTLIER -67.7 111.14 6.71 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.52 80.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.384 2.056 . . . . 0.0 112.148 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.074 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.446 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.284 0 O5'-C5'-C4' 111.055 0.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.478 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 105.36 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.478 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.458 ' C6 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.4 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 106.879 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.505 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.724 0.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.505 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.566 0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.471 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 115.239 0.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.443 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-O3' 111.326 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.778 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.635 0 C3'-C2'-C1' 105.196 1.783 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.781 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 103.943 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.781 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.597 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.484 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 105.125 1.732 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.798 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 105.24 1.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.798 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.62 -0.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.537 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 106.705 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.113 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 106.621 0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.053 0.454 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.32 -2.94 13.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.79 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.4 t0 67.75 37.3 3.27 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.981 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -60.41 -19.59 56.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.706 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 117.16 4.44 16.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.537 ' HE1' HD22 ' A' ' 467' ' ' LEU . 19.7 m-85 -114.26 -175.33 2.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 407' ' ' LEU . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 436' ' ' THR . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.438 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.606 ' HZ1' ' N ' ' A' ' 407' ' ' LEU . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.871 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 455' ' ' VAL . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 454' ' ' ALA . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.509 ' O ' ' C ' ' A' ' 466' ' ' ASP . 25.6 p80 -158.84 53.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 465' ' ' HIS . 0.8 OUTLIER 13.96 -87.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.23 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -150.49 119.27 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 467' ' ' LEU . 71.8 Cg_endo -88.71 87.08 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.83 2.353 . . . . 0.0 112.615 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.064 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.461 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.372 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.495 " H2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 105.219 1.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.495 ' H71' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.811 0.646 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.464 ' H73' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.461 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.461 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 106.721 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.44 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.24 0.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.561 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.86 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.561 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 103.924 0.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-O3' 111.286 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.648 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.518 -0.248 0 O5'-C5'-C4' 111.096 0.64 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.648 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 105.516 2.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.526 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 102.075 -0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 105.407 1.934 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.815 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 105.822 2.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.815 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.229 -0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.536 ' N7 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.099 0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N7 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.449 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 102.064 -0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.449 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 106.93 0.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 408' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.918 0.389 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 407' ' ' LEU . 0.0 OUTLIER -147.92 164.71 32.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.488 ' C ' HD22 ' A' ' 408' ' ' LEU . 4.3 t0 -60.22 109.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.51 5.68 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.285 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 128.22 -15.55 6.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -125.48 154.96 41.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.507 ' HG3' ' H71' ' B' ' 5' ' ' ' DT' . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' LYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.698 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.493 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.694 HG21 ' CG ' ' A' ' 465' ' ' HIS . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 439' ' ' CYS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 461' ' ' GLY . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 407' ' ' LEU . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.592 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.47 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 445' ' ' VAL . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.592 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLY . . . . . 0.475 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 436' ' ' THR . 9.3 p80 -154.35 -122.71 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -149.9 168.24 24.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.6 tt -78.06 129.43 75.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.213 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.14 76.49 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.78 2.32 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.027 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.437 -0.196 0 O5'-C5'-C4' 111.111 0.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.539 ' C5 ' ' H73' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.141 0.941 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.539 ' H73' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 105.359 1.899 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.507 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.131 -0.406 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.448 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.786 -0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.488 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.077 0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.935 -0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.534 -0.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.364 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.499 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.236 1.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.29 0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.45 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.991 1.636 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C1'-O4'-C4' 110.374 0.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.433 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.404 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.009 0.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.404 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.464 0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.776 0.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.441 HD11 ' HE1' ' A' ' 432' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 11.1 tp -128.88 104.9 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -93.83 105.91 17.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.24 3.71 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.293 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 139.74 -13.95 3.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.672 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.59 ' CE1' HD22 ' A' ' 467' ' ' LEU . 19.6 m-85 -116.54 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' ARG . . . . . 0.425 ' HE ' HG21 ' A' ' 435' ' ' THR . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.762 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.441 ' HE1' HD11 ' A' ' 407' ' ' LEU . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 435' ' ' THR . . . . . 0.425 HG21 ' HE ' ' A' ' 415' ' ' ARG . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.593 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.9 m-70 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.762 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 466' ' ' ASP . 35.2 p80 -151.54 47.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.614 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER 14.92 -142.03 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.179 179.406 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.698 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -94.04 124.15 57.06 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.277 . . . . 0.0 110.508 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 468' ' ' PRO . . . . . 0.698 ' HD2' HD13 ' A' ' 467' ' ' LEU . 65.2 Cg_endo -76.51 98.96 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.536 2.158 . . . . 0.0 112.793 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.955 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.647 H2'' " O4'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.652 0 C3'-C2'-C1' 105.029 1.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.733 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.733 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.441 0.529 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.733 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 105.353 1.895 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.669 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.187 0.348 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 106.106 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.517 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.99 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.517 ' OP2' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.466 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.94 0 C4'-C3'-C2' 104.855 1.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.461 ' N6 ' ' C4 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.171 0 C4'-C3'-O3' 112.131 0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.436 -0.271 0 N19-C1'-C2' 115.435 0.772 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.808 H2'' " O4'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.824 1.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.808 " O4'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 105.01 1.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 105.302 1.859 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.446 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.446 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.991 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.652 0.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 106.058 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-O3' 111.194 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 93.38 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.628 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.01 105.34 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.56 28.97 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.332 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLY . . . . . 0.462 ' O ' HD22 ' A' ' 467' ' ' LEU . . . 128.14 64.23 0.13 Allowed Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.57 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.442 ' CD2' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-85 176.48 158.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' ARG . . . . . 0.401 ' HD3' ' OP1' ' B' ' 4' ' ' ' DC' . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 418' ' ' GLY . . . . . 0.402 ' HA2' ' O6 ' ' B' ' 8' ' ' ' DG' . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 429' ' ' ARG . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 428' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.443 ' HD2' HG13 ' A' ' 422' ' ' VAL . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' TYR . . . . . 0.485 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 458' ' ' THR . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.403 ' NE2' HG21 ' A' ' 436' ' ' THR . 24.3 p80 -122.29 142.3 50.62 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -50.55 -61.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.057 0.456 . . . . 0.0 111.02 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 411' ' ' GLY . 16.7 mt -161.3 159.57 23.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.467 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.24 82.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.481 2.12 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.004 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.354 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.624 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.425 1.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.431 1.21 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.513 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.443 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 106.853 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.485 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.603 0.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.485 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C1'-O4'-C4' 110.715 0.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 N19-C1'-C2' 115.245 0.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.148 0 C4'-C3'-O3' 112.033 0.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.546 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.434 -0.375 0 O5'-C5'-C4' 110.815 0.439 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.79 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 104.015 0.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.79 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 103.905 0.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.507 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.757 1.469 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.417 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.61 0.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.417 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.001 0.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . 0.4 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.401 0.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.411 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 102.105 -0.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.942 0.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 407' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.722 0.296 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 408' ' ' LEU . . . . . 0.402 HD23 ' OD1' ' A' ' 409' ' ' ASP . 0.1 OUTLIER -145.44 141.34 28.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 409' ' ' ASP . . . . . 0.402 ' OD1' HD23 ' A' ' 408' ' ' LEU . 0.7 OUTLIER -33.99 114.17 0.19 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.917 -179.595 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -95.02 23.31 5.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.26 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 121.96 -20.49 8.1 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.572 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 -118.36 151.51 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 422' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 425' ' ' ASN . . . . . 0.74 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ARG . . . . . 0.426 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 434' ' ' CYS . . . . . 0.476 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . 0.621 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 437' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 445' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 407' ' ' LEU . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 447' ' ' ARG . . . . . 0.462 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' HIS . . . . . 0.462 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 42.4 m-70 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' HIS . . . . . 0.621 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.2 p80 -159.64 152.53 21.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.7 OUTLIER -52.21 -71.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 467' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 467' ' ' LEU . 0.7 OUTLIER 163.53 161.31 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.337 179.069 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.34 73.87 5.03 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.958 2.438 . . . . 0.0 112.032 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.036 -179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.528 0.499 0 C3'-C2'-C1' 105.298 1.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' DC' . . . . . 0.661 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.92 0.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' DT' . . . . . 0.494 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.416 1.94 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' DT' . . . . . 0.502 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.502 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.479 0.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' DA' . . . . . 0.428 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.486 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.839 0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 104.157 0.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.411 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-O3' 111.456 0.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.327 0 C3'-C2'-C1' 101.874 -0.59 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DG' . . . . . 0.754 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 103.978 0.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ' DG' . . . . . 0.754 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C4'-C3' 106.113 0.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ' DT' . . . . . 0.4 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.807 1.505 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ' DC' . . . . . 0.467 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ' DA' . . . . . 0.467 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 106.731 0.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.22 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.081 -0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ' DG' . . . . . 0.467 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.015 0.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ' DG' . . . . . 0.467 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 106.847 0.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.1 m-20 -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.487 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.813 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HD3' ' HD3' ' A' ' 433' ' ' LYS . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.404 HG13 ' CG1' ' A' ' 455' ' ' VAL . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.404 ' CG1' HG13 ' A' ' 445' ' ' VAL . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.813 ' CE1' HG21 ' A' ' 436' ' ' THR . 31.0 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.417 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.441 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.479 HG13 ' HD3' ' A' ' 429' ' ' ARG . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.654 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.479 ' HD3' HG13 ' A' ' 422' ' ' VAL . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 436' ' ' THR . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 435' ' ' THR . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.53 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.654 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.434 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 27.1 p80 . . . . . 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.739 HH12 HG21 ' A' ' 435' ' ' THR . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.418 ' O ' ' N ' ' A' ' 443' ' ' LYS . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.739 HG21 HH12 ' A' ' 415' ' ' ARG . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.659 HG22 ' CD ' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.659 ' CD ' HG22 ' A' ' 436' ' ' THR . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.6 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 463' ' ' HIS . 1.6 m-30 . . . . . 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.458 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.458 HG13 HH11 ' A' ' 429' ' ' ARG . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.829 ' HB3' HG12 ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 422' ' ' VAL . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.43 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.574 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 461' ' ' GLY . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.587 ' HB2' HG22 ' A' ' 456' ' ' VAL . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.586 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.41 ' HG3' ' OH ' ' A' ' 427' ' ' TYR . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.587 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.467 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . 0.414 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 436' ' ' THR . 26.3 p80 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.533 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.0 m-85 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.68 ' HB3' HG12 ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 443' ' ' LYS . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.497 ' HG ' ' CE1' ' A' ' 463' ' ' HIS . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.794 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 446' ' ' GLU . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.497 ' CE1' ' HG ' ' A' ' 434' ' ' CYS . 33.7 m-70 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 465' ' ' HIS . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.872 0.367 . . . . 0.0 110.617 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 432' ' ' TYR . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.455 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.699 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' A' ' 422' ' ' VAL . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 416' ' ' LYS . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.611 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.452 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 . . . . . 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.48 ' CE2' ' CG ' ' A' ' 463' ' ' HIS . 66.2 m-85 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.474 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.451 ' HG ' ' CE1' ' A' ' 463' ' ' HIS . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.806 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.442 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.561 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.806 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.1 p80 . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.664 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.664 ' HD2' HG22 ' A' ' 436' ' ' THR . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.416 ' CD2' HG21 ' A' ' 436' ' ' THR . 15.1 p80 . . . . . 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 CA--C 1.53 0.188 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CD2' ' HB2' ' A' ' 434' ' ' CYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 442' ' ' ARG . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 457' ' ' THR . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.73 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.449 HG23 HG22 ' A' ' 445' ' ' VAL . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 13.7 m-70 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 436' ' ' THR . 27.0 p80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.741 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.741 ' HD2' HG13 ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.44 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.731 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.436 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 454' ' ' ALA . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.54 ' HB2' ' OD2' ' A' ' 451' ' ' ASP . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 446' ' ' GLU . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.731 ' CG ' HG21 ' A' ' 436' ' ' THR . 28.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.667 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.534 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.667 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.475 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 436' ' ' THR . 16.6 p80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 . . . . . 0 CA--C 1.52 -0.2 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 456' ' ' VAL . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 446' ' ' GLU . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 . . . . . 0 N--CA 1.454 -0.237 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.787 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 457' ' ' THR . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 445' ' ' VAL . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 15.0 p80 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.65 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 436' ' ' THR . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.652 HG21 ' NE2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 460' ' ' GLU . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.556 ' HB2' HG22 ' A' ' 456' ' ' VAL . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 441' ' ' VAL . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 463' ' ' HIS . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 462' ' ' LYS . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.652 ' NE2' HG21 ' A' ' 436' ' ' THR . 28.5 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.429 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.668 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 436' ' ' THR . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.437 ' CB ' HG22 ' A' ' 456' ' ' VAL . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.494 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.426 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.84 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.462 ' CE1' ' HG ' ' A' ' 434' ' ' CYS . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 16.8 p80 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.498 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 436' ' ' THR . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.438 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 432' ' ' TYR . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.871 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 455' ' ' VAL . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 454' ' ' ALA . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.504 ' CD2' HG21 ' A' ' 436' ' ' THR . 25.6 p80 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.698 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.493 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.694 HG21 ' CG ' ' A' ' 465' ' ' HIS . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 461' ' ' GLY . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . 0.423 HG13 ' CG1' ' A' ' 455' ' ' VAL . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.592 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.47 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 445' ' ' VAL . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.592 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . 0.475 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 436' ' ' THR . 9.3 p80 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . 0.425 ' HE ' HG21 ' A' ' 435' ' ' THR . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.762 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.435 ' O ' ' HG2' ' A' ' 443' ' ' LYS . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . 0.425 HG21 ' HE ' ' A' ' 415' ' ' ARG . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.593 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.1 m80 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.762 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.593 ' CG ' HG21 ' A' ' 436' ' ' THR . 35.2 p80 . . . . . 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.417 ' HB3' ' NE1' ' A' ' 414' ' ' TRP . 1.6 m-85 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 429' ' ' ARG . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.443 ' HD2' HG13 ' A' ' 422' ' ' VAL . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . 0.485 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 458' ' ' THR . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.403 ' NE2' HG21 ' A' ' 436' ' ' THR . 24.3 p80 . . . . . 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' ASN . . . . . 0.74 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ARG . . . . . 0.426 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' CYS . . . . . 0.476 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . 0.621 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' ARG . . . . . 0.462 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' HIS . . . . . 0.462 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 42.4 m-70 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' HIS . . . . . 0.621 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.2 p80 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.7 mp -63.36 124.47 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -90.68 94.77 9.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.181 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -91.84 -7.85 48.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.042 179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.587 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 125.48 64.28 0.17 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.961 -0.637 . . . . 0.0 111.918 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.587 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.5 m-85 166.78 168.24 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.418 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 9.5 tpp85 -113.49 121.14 43.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.304 179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.45 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 38.1 m95 -125.44 141.8 51.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.182 0.515 . . . . 0.0 111.959 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -116.7 104.73 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.385 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.436 ' HG2' ' CZ ' ' A' ' 432' ' ' TYR . 0.5 OUTLIER -48.92 145.94 3.6 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.487 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -159.86 128.89 5.1 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.233 0.539 . . . . 0.0 112.205 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.506 ' HA3' ' H72' ' C' ' 24' ' ' ' DT' . . . 86.13 170.96 47.52 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.268 -0.878 . . . . 0.0 113.48 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -173.23 103.78 0.13 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 154.82 50.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.417 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.8 p -107.05 144.31 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 16.3 m -123.47 141.31 44.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.406 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.7 mptt -79.19 179.11 7.57 Favored 'General case' 0 C--N 1.339 0.132 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.103 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.34 -10.92 0.38 Allowed Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.209 -0.996 . . . . 0.0 111.636 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.664 ' O ' ' N ' ' A' ' 427' ' ' TYR . 2.1 m-20 -157.44 52.04 0.55 Allowed Pre-proline 0 N--CA 1.449 -0.479 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.574 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 15.9 Cg_exo -26.66 70.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 124.786 3.658 . . . . 0.0 114.397 -178.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.664 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.8 m-85 -155.44 147.3 17.18 Favored Pre-proline 0 C--N 1.327 -0.382 0 C-N-CA 120.696 -0.402 . . . . 0.0 111.669 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 88.3 Cg_endo -82.54 129.54 5.76 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.83 2.353 . . . . 0.0 112.366 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.92 157.48 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.901 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -133.59 142.68 48.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.719 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.487 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 67.9 m-85 -116.48 111.11 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.757 0.313 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.436 ' CZ ' ' HG2' ' A' ' 416' ' ' LYS . 67.6 m-85 -97.66 131.21 44.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.664 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.417 ' HE2' ' CD2' ' A' ' 417' ' ' TYR . 3.0 mtmm -117.53 116.54 27.31 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.16 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.45 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.9 t -74.33 138.13 43.29 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 63.3 p -119.97 152.01 38.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.403 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.813 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.79 143.09 0.66 Allowed Pre-proline 0 C--N 1.326 -0.455 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 179.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.402 ' HD2' HG22 ' A' ' 436' ' ' THR . 11.9 Cg_endo -55.81 80.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.281 1.987 . . . . 0.0 111.696 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.43 2.07 21.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.66 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.9 t -135.74 151.64 50.34 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.311 0.577 . . . . 0.0 111.74 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.95 103.2 0.22 Allowed Glycine 0 CA--C 1.519 0.336 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.131 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 13.0 t -119.01 155.09 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.413 ' HD3' ' HD3' ' A' ' 433' ' ' LYS . 6.3 mtm-85 -113.91 148.72 36.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.067 0.461 . . . . 0.0 111.067 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 21.2 ttpt -139.19 137.23 35.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.945 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -112.05 144.35 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.949 0.404 . . . . 0.0 110.922 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.404 HG13 ' CG1' ' A' ' 455' ' ' VAL . 41.0 t -130.58 121.41 50.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.991 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -132.63 152.24 51.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.687 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.38 165.07 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.653 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -99.54 119.46 38.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.134 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -43.67 -50.94 7.37 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.77 -179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.35 21.99 1.94 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.83 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -174.23 84.44 0.35 Allowed Pre-proline 0 C--N 1.332 -0.194 0 CA-C-O 120.814 0.34 . . . . 0.0 110.678 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_exo -61.76 -16.42 48.76 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.732 2.288 . . . . 0.0 112.627 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -87.01 -17.63 32.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.4 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.08 121.79 32.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.915 0.388 . . . . 0.0 110.717 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.404 ' CG1' HG13 ' A' ' 445' ' ' VAL . 29.7 t -115.83 144.1 24.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.42 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.0 m -109.56 143.1 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.41 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.46 123.93 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 0.0 111.748 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -118.05 127.22 53.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.949 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.427 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 81.9 m-85 -104.96 123.69 48.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.033 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -119.36 108.96 15.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.989 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 123.87 -151.9 17.14 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.818 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -157.45 148.87 21.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.681 0.277 . . . . 0.0 110.512 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -102.38 130.08 49.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.903 0.382 . . . . 0.0 111.227 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -112.98 53.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.85 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.813 ' CE1' HG21 ' A' ' 436' ' ' THR . 31.0 p80 -163.01 47.76 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.077 0.465 . . . . 0.0 110.14 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.582 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER 44.07 168.1 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.157 -0.929 . . . . 0.0 112.349 179.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 467' ' ' LEU . 0.4 OUTLIER -84.31 109.13 17.32 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.488 179.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.422 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 8.1 Cg_exo -72.4 -171.7 0.77 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.596 2.197 . . . . 0.0 112.337 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.063 179.883 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.256 0 O5'-C5'-C4' 111.08 0.628 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.467 " H2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 105.323 1.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.467 ' H71' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.614 0.653 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.43 H2'' ' C6 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.346 0.746 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.43 ' C6 ' H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.594 1.394 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 106.728 0.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.449 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.621 0.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.477 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 105.447 1.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.408 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-O3' 111.348 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.458 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.566 0 C3'-C2'-C1' 105.5 2.0 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.476 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.466 1.241 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C4'-C3'-C2' 104.709 1.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.506 ' H72' ' HA3' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 104.706 1.433 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.447 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.447 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 O4'-C1'-C2' 106.834 0.667 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 101.996 -0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.091 -0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-O3' 111.378 0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.942 0.401 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 2.8 mt -74.9 92.62 2.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -94.15 149.15 21.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.734 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.406 ' OD2' ' CE2' ' A' ' 412' ' ' TYR . 2.0 p-10 -108.84 16.72 22.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.41 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 103.03 22.2 9.49 Favored Glycine 0 C--N 1.332 0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.095 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.406 ' CE2' ' OD2' ' A' ' 410' ' ' ASP . 19.6 m-85 -125.67 -168.85 1.9 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.569 0.223 . . . . 0.0 110.679 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.57 110.09 20.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.621 -0.263 . . . . 0.0 110.564 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 30.8 m95 -116.48 140.41 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.89 0.376 . . . . 0.0 111.157 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.417 ' CD ' ' HB3' ' A' ' 417' ' ' TYR . 6.3 tmm_? -109.01 119.04 38.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.179 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.466 ' HB2' ' CE2' ' A' ' 432' ' ' TYR . 35.4 tttt -82.54 98.83 9.15 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.126 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.441 ' CE2' ' HD2' ' A' ' 433' ' ' LYS . 55.0 p90 -124.91 150.24 46.76 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.288 0.847 . . . . 0.0 113.288 -178.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.77 76.71 0.43 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.707 -1.133 . . . . 0.0 114.298 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.26 102.3 4.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.257 0.528 . . . . 0.0 110.236 178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 421' ' ' VAL . 1.6 tppp? -109.62 148.07 31.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.807 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.403 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.1 p -115.39 147.84 18.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.65 0.262 . . . . 0.0 110.675 179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.479 HG13 ' HD3' ' A' ' 429' ' ' ARG . 2.0 m -118.89 138.82 48.37 Favored 'Isoleucine or valine' 0 C--O 1.243 0.751 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.159 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -97.2 136.43 37.71 Favored 'General case' 0 C--N 1.343 0.291 0 O-C-N 123.989 0.805 . . . . 0.0 110.252 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 102.21 -14.9 56.82 Favored Glycine 0 N--CA 1.453 -0.182 0 N-CA-C 108.651 -1.78 . . . . 0.0 108.651 -176.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.654 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 2.6 t30 -146.0 53.22 1.75 Allowed Pre-proline 0 N--CA 1.447 -0.607 0 N-CA-C 105.608 -1.997 . . . . 0.0 105.608 177.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.678 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 12.3 Cg_exo -32.04 76.67 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 124.605 3.537 . . . . 0.0 113.963 -177.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.678 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 68.1 m-85 -159.79 138.17 7.6 Favored Pre-proline 0 C--N 1.326 -0.442 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.203 -179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 89.3 Cg_endo -82.96 126.45 4.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.677 2.251 . . . . 0.0 112.565 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.479 ' HD3' HG13 ' A' ' 422' ' ' VAL . 2.0 mtp85 -91.34 158.81 16.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.467 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 70.8 m -133.04 140.76 47.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.608 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.507 ' CD1' ' C7 ' ' C' ' 24' ' ' ' DT' . 84.6 m-85 -102.28 91.92 4.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.895 0.378 . . . . 0.0 110.989 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.466 ' CE2' ' HB2' ' A' ' 416' ' ' LYS . 31.6 m-85 -91.48 113.7 26.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.863 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.2 OUTLIER -116.62 126.77 53.73 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.967 0.413 . . . . 0.0 111.676 -179.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 441' ' ' VAL . 11.9 t -77.1 117.78 19.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.467 179.196 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.439 ' O ' HG23 ' A' ' 436' ' ' THR . 7.2 p -102.57 162.8 12.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 435' ' ' THR . 0.0 OUTLIER 176.97 150.39 0.35 Allowed Pre-proline 0 C--N 1.326 -0.429 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.981 179.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -58.28 80.61 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.503 2.135 . . . . 0.0 111.934 179.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 109.2 3.38 31.32 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.62 -179.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.4 140.8 46.56 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.087 0.47 . . . . 0.0 111.25 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -149.26 108.6 0.41 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.237 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 434' ' ' CYS . 20.3 t -127.58 158.44 39.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 1.0 OUTLIER -133.34 160.12 38.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.222 0.534 . . . . 0.0 111.662 -179.448 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.434 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 20.2 pttt -153.49 156.64 38.5 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.772 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' A' ' 457' ' ' THR . 2.2 m170 -112.31 146.85 37.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.585 -179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 19.0 t -133.25 121.4 42.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.492 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -150.87 168.55 24.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.53 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -108.83 150.73 27.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -79.69 136.71 36.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.9 -179.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.654 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -69.23 -7.01 32.83 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.4 p -119.29 19.04 12.89 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.833 0.349 . . . . 0.0 111.385 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.445 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 51.9 t0 -176.99 92.63 0.24 Allowed Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -55.01 -21.2 26.0 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.648 2.232 . . . . 0.0 112.457 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -95.29 -1.34 51.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.74 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -98.48 116.81 31.51 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.735 0.302 . . . . 0.0 111.357 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -113.67 143.71 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.303 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 4.1 m -112.74 143.16 22.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -133.11 109.15 9.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.7 179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -98.29 127.22 44.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.537 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.434 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 32.7 m-85 -99.98 117.88 35.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.927 0.394 . . . . 0.0 111.217 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -114.86 103.69 11.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.73 141.47 10.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.911 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -89.05 163.12 15.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.689 0.28 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -97.38 132.64 42.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.98 31.81 2.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.497 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.515 ' O ' ' C ' ' A' ' 466' ' ' ASP . 27.1 p80 -150.49 56.09 0.92 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.433 179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.542 ' O ' HD22 ' A' ' 467' ' ' LEU . 2.0 m-20 12.08 -86.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.28 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.65 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.5 OUTLIER -144.55 121.88 6.49 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.401 179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.65 ' HD2' HD13 ' A' ' 467' ' ' LEU . 99.0 Cg_endo -81.14 88.09 1.42 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.424 2.083 . . . . 0.0 112.304 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.379 -0.82 . . . . 0.0 111.097 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.778 0 C3'-C2'-C1' 105.255 1.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.624 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 103.921 0.721 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 ' H71' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.533 0.595 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.59 " H2'" ' H72' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.82 0 C3'-C2'-C1' 105.052 1.68 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.59 ' H72' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C3'-C2'-C1' 101.973 -0.519 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 101.917 -0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.53 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.706 0.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.53 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C4'-C3'-C2' 104.038 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-O3' 111.339 0.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.715 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.517 -0.315 0 O5'-C5'-C4' 111.196 0.711 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.715 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 105.342 1.887 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.495 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C4'-C3'-C2' 104.409 1.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.507 ' C7 ' ' CD1' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 104.842 1.53 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.43 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.43 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 O4'-C1'-C2' 106.901 0.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 101.924 -0.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.43 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C4'-C3' 105.997 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.43 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 O4'-C1'-C2' 106.838 0.671 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.419 HD12 ' CD2' ' A' ' 432' ' ' TYR . 19.0 mt . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.888 0.375 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.56 -35.29 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 2.7 t0 179.3 131.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.247 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 34.51 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.129 179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 87.22 -12.82 61.39 Favored Glycine 0 C--N 1.331 0.291 0 CA-C-N 115.477 -0.783 . . . . 0.0 112.35 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -128.54 -164.92 1.43 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -111.35 106.51 15.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.756 0.312 . . . . 0.0 110.34 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.467 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 51.5 m95 -110.57 139.25 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.097 0.475 . . . . 0.0 111.799 -178.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.739 HH12 HG21 ' A' ' 435' ' ' THR . 19.7 ttm105 -110.19 108.61 18.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.103 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.54 144.84 46.27 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -163.49 139.16 6.6 Favored 'General case' 0 C--O 1.236 0.365 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 54.13 84.6 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 CA-C-N 114.076 -1.42 . . . . 0.0 114.834 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 139.65 32.39 Favored 'General case' 0 CA--C 1.528 0.11 0 CA-C-N 117.675 0.738 . . . . 0.0 109.654 178.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 0.0 OUTLIER -157.49 160.16 37.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 0.0 112.124 -179.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.507 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 0.2 OUTLIER -114.31 143.83 23.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.022 179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.9 m -125.47 153.16 32.87 Favored 'Isoleucine or valine' 0 C--O 1.243 0.744 0 CA-C-O 121.042 0.448 . . . . 0.0 111.924 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.5 OUTLIER -79.45 -175.69 4.87 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 115.036 -0.983 . . . . 0.0 110.116 179.418 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.44 -26.13 0.27 Allowed Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.395 -0.907 . . . . 0.0 111.867 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.647 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.0 t30 -150.49 60.81 4.37 Favored Pre-proline 0 N--CA 1.448 -0.542 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.584 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 17.2 Cg_exo -29.19 72.02 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 124.618 3.545 . . . . 0.0 114.251 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.647 ' N ' ' O ' ' A' ' 425' ' ' ASN . 63.2 m-85 -155.15 145.1 15.64 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.5 Cg_endo -83.47 126.54 4.17 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.209 2.606 . . . . 0.0 112.398 179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.57 156.06 18.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 14.1 m -126.54 149.03 49.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.201 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.488 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 25.3 m-85 -112.62 103.07 11.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.0 0.428 . . . . 0.0 111.64 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.419 ' CD2' HD12 ' A' ' 407' ' ' LEU . 93.2 m-85 -100.35 123.02 44.05 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.061 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 0.6 OUTLIER -117.54 123.98 47.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.932 0.396 . . . . 0.0 111.493 179.594 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.467 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 10.9 t -80.88 119.0 22.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.041 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.739 HG21 HH12 ' A' ' 415' ' ' ARG . 5.4 p -103.02 170.16 8.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.751 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.659 HG22 ' CD ' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -178.24 172.13 0.72 Allowed Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.023 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.659 ' CD ' HG22 ' A' ' 436' ' ' THR . 32.2 Cg_exo -54.8 -50.44 13.29 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 121.322 1.348 . . . . 0.0 111.309 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -126.07 29.39 4.62 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.307 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -139.74 149.58 43.77 Favored 'General case' 0 C--O 1.238 0.472 0 CA-C-O 121.562 0.696 . . . . 0.0 112.006 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.47 107.08 0.3 Allowed Glycine 0 N--CA 1.449 -0.445 0 CA-C-N 114.487 -1.233 . . . . 0.0 111.672 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 434' ' ' CYS . 13.5 t -124.93 154.5 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.58 0.229 . . . . 0.0 110.505 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 5.6 mtm105 -117.48 150.73 38.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.955 0.407 . . . . 0.0 111.032 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.449 ' CD ' ' CE1' ' A' ' 459' ' ' TYR . 10.3 ttpt -141.75 135.16 29.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.752 -179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -112.24 130.72 55.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.617 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 57.9 t -111.41 121.11 63.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.205 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.1 mm-40 -137.41 151.88 49.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.817 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.73 170.25 7.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.794 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.634 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -94.54 126.22 39.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.945 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -45.42 -52.95 9.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.781 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.05 13.76 14.06 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.634 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 5.4 t0 -155.71 90.76 2.81 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 120.669 0.271 . . . . 0.0 110.806 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -69.25 -22.17 34.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.749 2.299 . . . . 0.0 112.272 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.14 -18.2 47.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.399 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -95.13 128.41 41.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.695 0.283 . . . . 0.0 111.108 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.9 t -119.07 140.77 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.946 0.403 . . . . 0.0 111.496 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.513 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.8 OUTLIER -102.72 138.12 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.491 179.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.72 126.57 36.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.95 0.405 . . . . 0.0 111.576 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 7.4 m -124.32 127.51 47.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.76 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.449 ' CE1' ' CD ' ' A' ' 443' ' ' LYS . 98.9 m-85 -104.73 128.61 52.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.856 0.36 . . . . 0.0 111.156 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -116.18 104.11 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.43 -156.99 20.7 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.561 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.75 136.57 18.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.78 0.324 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -84.59 119.2 24.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -105.72 47.22 0.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.595 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.6 p80 -154.58 150.46 27.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -74.26 175.82 7.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.462 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.528 HD13 ' HD2' ' A' ' 468' ' ' PRO . 2.1 mm? -67.49 123.03 85.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.623 -0.262 . . . . 0.0 110.691 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.528 ' HD2' HD13 ' A' ' 467' ' ' LEU . 62.0 Cg_endo -73.78 85.95 1.27 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.309 2.006 . . . . 0.0 112.343 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.24 -0.885 . . . . 0.0 111.093 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.408 -0.885 0 C4'-C3'-C2' 104.831 1.631 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.724 " H2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.861 0 C3'-C2'-C1' 105.057 1.684 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.745 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.745 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 105.263 1.831 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.623 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 102.041 -0.47 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.494 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 106.808 0.644 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.475 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.584 -0.616 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.481 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.573 0.624 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.447 1.212 0 C4'-C3'-O3' 111.932 0.742 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.415 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.343 0 O5'-C5'-C4' 111.082 0.63 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.467 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.464 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.776 0 C4'-C3'-C2' 105.04 1.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.628 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C3'-C2'-C1' 104.84 1.528 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.628 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C3'-C2'-C1' 102.124 -0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C1'-O4'-C4' 110.377 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.532 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.532 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.496 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.406 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C4'-C3' 105.994 0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.406 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 106.86 0.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.486 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.1 tt . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.847 0.356 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.78 -155.92 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.438 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -120.84 41.89 3.17 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.057 0.456 . . . . 0.0 110.417 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -89.4 -19.21 25.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.827 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.644 ' O ' ' CG ' ' A' ' 412' ' ' TYR . . . 120.68 78.88 0.54 Allowed Glycine 0 N--CA 1.445 -0.753 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.776 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.644 ' CG ' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-30 163.34 172.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.868 0.366 . . . . 0.0 111.003 179.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -118.4 127.73 53.95 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.461 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.458 ' CE3' ' HE2' ' A' ' 443' ' ' LYS . 41.5 m95 -127.04 143.27 51.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.131 0.491 . . . . 0.0 111.882 -178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' ' 432' ' ' TYR . 11.6 ttp85 -106.1 127.4 53.17 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.43 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 1.7 tmmt? -89.26 94.35 9.88 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.996 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.44 ' CE1' ' HD2' ' A' ' 433' ' ' LYS . 49.0 p90 -125.2 149.84 47.56 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -178.449 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.25 76.89 0.39 Allowed Glycine 0 C--N 1.335 0.515 0 CA-C-N 114.501 -1.227 . . . . 0.0 114.509 178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.35 113.28 17.37 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 117.393 0.597 . . . . 0.0 110.706 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -127.22 149.38 50.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.227 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.829 HG12 ' HB3' ' A' ' 428' ' ' PRO . 3.1 m -116.41 148.04 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 111.722 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.458 HG13 HH11 ' A' ' 429' ' ' ARG . 0.0 OUTLIER -98.15 147.88 6.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.806 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.738 178.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -99.32 145.32 27.45 Favored 'General case' 0 C--N 1.345 0.382 0 O-C-N 123.677 0.611 . . . . 0.0 110.462 179.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 83.13 3.38 90.33 Favored Glycine 0 N--CA 1.452 -0.241 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 -176.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.586 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 7.2 t30 -160.43 53.04 0.47 Allowed Pre-proline 0 N--CA 1.445 -0.708 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.597 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 22.9 Cg_exo -33.8 75.83 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.396 3.397 . . . . 0.0 114.004 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.597 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 45.6 m-85 -152.37 129.84 5.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 119.842 -0.743 . . . . 0.0 112.168 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.829 ' HB3' HG12 ' A' ' 421' ' ' VAL . 95.4 Cg_endo -83.4 124.4 3.65 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.819 2.346 . . . . 0.0 113.09 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.458 HH11 HG13 ' A' ' 422' ' ' VAL . 0.0 OUTLIER -92.85 169.4 10.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.796 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -135.82 142.0 44.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 431' ' ' TYR . 5.5 m-85 -103.15 93.0 4.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.172 0.511 . . . . 0.0 111.114 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 407' ' ' LEU . 70.4 m-85 -90.45 112.56 24.24 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.44 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 1.6 ptmt -115.44 124.33 50.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 111.55 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . . . . . . . . . 1.7 t -69.09 130.15 41.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.763 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 34.5 p -109.91 150.91 27.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.759 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.601 HG23 ' HG3' ' A' ' 468' ' ' PRO . 0.7 OUTLIER -170.7 137.47 1.21 Allowed Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 179.017 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -52.99 85.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.254 1.969 . . . . 0.0 111.844 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.21 3.61 25.97 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.58 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -140.15 156.82 46.38 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.472 0.653 . . . . 0.0 111.841 -179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.19 112.17 0.51 Allowed Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 114.689 -1.141 . . . . 0.0 112.688 179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.414 HG22 ' C ' ' A' ' 461' ' ' GLY . 9.7 t -123.41 155.14 29.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 9.2 mtm-85 -119.42 148.77 42.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.31 0.576 . . . . 0.0 111.969 -179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.467 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.0 ttpt -138.49 140.51 39.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.313 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 13.0 m80 -111.67 149.28 31.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.922 0.392 . . . . 0.0 111.238 -179.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 15.3 t -137.92 122.5 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.618 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.587 ' HB2' HG22 ' A' ' 456' ' ' VAL . 1.7 mm-40 -136.22 160.42 38.74 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.022 -179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.84 131.16 56.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.457 179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -78.54 116.97 19.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.327 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.586 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.35 -45.7 6.16 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.416 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.2 t -94.54 21.49 7.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.658 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -175.34 72.17 0.28 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.985 0.421 . . . . 0.0 110.653 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.41 ' HG3' ' OH ' ' A' ' 427' ' ' TYR . 24.4 Cg_exo -63.0 -21.7 73.37 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.933 2.422 . . . . 0.0 112.771 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.83 -21.03 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.489 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -61.38 -65.79 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.04 0.448 . . . . 0.0 111.529 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 41.1 t 65.42 125.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.818 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.587 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.9 m -102.88 139.43 23.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.14 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.85 116.39 17.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.929 0.395 . . . . 0.0 111.201 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 1.5 m -115.73 129.46 56.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.098 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.467 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 56.4 m-85 -101.86 119.45 38.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.762 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -119.05 109.08 15.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.407 -179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . 0.414 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 111.38 141.72 8.67 Favored Glycine 0 C--N 1.33 0.203 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.968 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.56 160.89 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.65 179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.43 ' CE1' ' CE2' ' A' ' 412' ' ' TYR . 50.3 m-70 -102.85 129.02 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.906 0.384 . . . . 0.0 111.028 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -104.98 62.58 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.621 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.574 ' CG ' HG21 ' A' ' 436' ' ' THR . 26.3 p80 -172.24 158.09 4.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.201 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.56 -75.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.824 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.648 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -168.2 119.7 0.68 Allowed Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.702 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.648 ' HD2' HD13 ' A' ' 467' ' ' LEU . 37.7 Cg_exo -59.89 82.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.463 2.109 . . . . 0.0 112.254 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.009 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.62 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.62 0 C3'-C2'-C1' 105.309 1.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.62 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C4'-C3' 106.099 0.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 106.713 0.557 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.624 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C3'-C2'-C1' 104.654 1.396 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.452 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C5'-C4'-O4' 108.805 -0.372 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.452 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 102.642 -0.558 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.446 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C4'-C3'-C2' 102.648 -0.552 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.51 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.806 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.51 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 101.948 -0.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C4'-C3'-C2' 102.307 -0.893 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.335 0 C3'-C2'-C1' 101.814 -0.633 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.717 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 104.569 1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.717 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 C4'-C3'-C2' 103.792 0.592 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.467 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 104.95 1.607 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.406 ' C5 ' " H2'" ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.4 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.55 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 106.768 0.607 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.55 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.548 0.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.145 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C4'-C3'-O3' 111.345 0.475 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.424 HD11 ' CZ ' ' A' ' 432' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.842 0.353 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 53.26 49.02 20.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.744 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.616 ' O ' ' CB ' ' A' ' 410' ' ' ASP . 0.5 OUTLIER -82.5 -170.23 2.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.041 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.616 ' CB ' ' O ' ' A' ' 409' ' ' ASP . 63.2 t0 114.18 -44.19 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 123.722 0.809 . . . . 0.0 109.664 -179.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -78.48 -81.89 0.66 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.429 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.573 ' CE1' HD13 ' A' ' 467' ' ' LEU . 22.0 m-85 -129.13 154.37 46.78 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.717 0.294 . . . . 0.0 110.77 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 6.9 mtp-105 -78.57 125.41 29.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.362 . . . . 0.0 110.401 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.533 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 31.0 m95 -118.69 138.09 52.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.901 -179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -110.18 118.81 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.629 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.9 OUTLIER -64.28 140.22 58.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.429 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.467 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.8 OUTLIER -159.31 131.16 6.39 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.379 0.609 . . . . 0.0 112.482 179.629 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 69.42 176.82 15.57 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.047 -0.979 . . . . 0.0 113.694 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.76 113.73 0.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.56 151.27 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.68 HG12 ' HB3' ' A' ' 428' ' ' PRO . 0.7 OUTLIER -115.17 145.23 21.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.0 110.555 179.284 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 6.1 m -122.52 149.08 25.99 Favored 'Isoleucine or valine' 0 C--O 1.243 0.762 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.426 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -77.31 179.18 6.56 Favored 'General case' 0 C--N 1.34 0.162 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.115 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 64.63 -9.89 0.36 Allowed Glycine 0 CA--C 1.522 0.492 0 C-N-CA 120.141 -1.028 . . . . 0.0 111.304 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.702 ' O ' ' N ' ' A' ' 427' ' ' TYR . 20.4 t30 -160.75 56.53 0.78 Allowed Pre-proline 0 N--CA 1.447 -0.599 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.502 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.4 Cg_exo -35.08 70.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 124.152 3.235 . . . . 0.0 113.452 -178.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.702 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.6 m-85 -149.05 135.29 10.13 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 112.675 0.621 . . . . 0.0 112.675 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.68 ' HB3' HG12 ' A' ' 421' ' ' VAL . 94.5 Cg_endo -83.53 128.36 4.67 Favored 'Trans proline' 0 C--N 1.348 0.546 0 C-N-CA 123.014 2.476 . . . . 0.0 111.934 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.01 176.23 6.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 111.143 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.2 m -138.87 147.31 42.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.706 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.467 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 98.7 m-85 -113.0 106.21 14.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.928 0.394 . . . . 0.0 111.911 -179.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.424 ' CZ ' HD11 ' A' ' 407' ' ' LEU . 39.0 m-85 -101.07 120.69 40.57 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.166 179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.456 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 2.0 ptmt -115.85 122.72 46.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.907 0.384 . . . . 0.0 111.997 -179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.458 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -72.44 123.99 24.24 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.831 179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 18.9 p -107.82 159.75 16.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.765 178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 438' ' ' GLY . 0.0 OUTLIER -179.46 143.04 0.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.1 82.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.063 1.842 . . . . 0.0 111.738 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.92 2.8 26.79 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.739 -179.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.457 ' CB ' ' HD2' ' A' ' 465' ' ' HIS . 6.2 t -135.97 149.43 48.87 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.334 0.587 . . . . 0.0 111.582 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -154.9 108.86 0.38 Allowed Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.005 -0.998 . . . . 0.0 112.202 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 434' ' ' CYS . 12.7 t -124.89 154.65 32.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -116.4 146.76 42.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.073 0.463 . . . . 0.0 111.387 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 432' ' ' TYR . 19.8 ttpt -136.85 139.1 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.099 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.513 ' CE1' ' HB2' ' A' ' 446' ' ' GLU . 4.8 t-80 -111.98 142.09 44.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.857 0.361 . . . . 0.0 111.019 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 59.6 t -131.15 121.37 49.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.835 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.513 ' HB2' ' CE1' ' A' ' 444' ' ' HIS . 17.5 tt0 -135.92 152.13 50.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.85 162.3 13.32 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -85.04 130.45 34.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.965 0.412 . . . . 0.0 111.372 -179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.527 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.48 -46.56 6.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.482 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 8.8 t -95.89 -22.27 17.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.908 0.385 . . . . 0.0 111.296 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.794 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 22.6 t0 -122.57 98.55 43.3 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.423 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.59 -7.41 21.23 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.358 2.039 . . . . 0.0 112.21 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -101.94 -9.44 20.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.559 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -90.76 57.1 3.46 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.394 0.616 . . . . 0.0 110.822 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 46.1 t -51.06 138.18 7.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.927 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 446' ' ' GLU . 3.9 m -110.92 144.29 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.224 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.33 123.13 26.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.909 0.385 . . . . 0.0 111.679 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.6 m -114.47 128.3 56.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.924 179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -108.9 121.74 45.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.219 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.13 118.96 26.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 124.94 -156.44 18.91 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.666 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.39 148.14 21.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 110.914 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.488 ' CD2' ' CE2' ' A' ' 412' ' ' TYR . 33.7 m-70 -107.46 125.41 51.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -104.34 55.68 0.72 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.755 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.457 ' HD2' ' CB ' ' A' ' 439' ' ' CYS . 22.9 p80 -159.86 153.92 23.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.232 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -57.81 158.69 6.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.573 HD13 ' CE1' ' A' ' 412' ' ' TYR . 3.2 mm? -80.72 112.99 36.44 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -83.0 -168.55 0.6 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.531 2.154 . . . . 0.0 112.296 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.198 -0.906 . . . . 0.0 111.05 179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.464 H2'' ' C5 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.436 -0.243 0 O5'-C5'-C4' 110.986 0.561 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.496 " C2'" ' H72' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.276 0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.496 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C1'-C2' 106.854 0.685 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.532 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.73 1.45 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.532 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.466 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 102.086 -0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.435 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 102.788 -0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.481 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.954 0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C4'-C3'-C2' 103.86 0.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 101.976 -0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.422 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.449 0.279 0 O5'-C5'-C4' 111.061 0.615 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.629 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C3'-C2'-C1' 104.89 1.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.629 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 106.715 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.466 H2'' ' C5 ' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C4'-C3'-C2' 104.849 1.649 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.466 ' C5 ' H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.797 0.633 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C4'-C3'-C2' 102.499 -0.701 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.874 0.703 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.461 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.461 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C4'-C3' 105.948 0.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.428 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 O4'-C1'-C2' 106.889 0.717 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.73 HD21 ' CE1' ' A' ' 432' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.484 0 CA-C-O 121.066 0.46 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.43 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 0.3 OUTLIER 66.49 -83.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.613 179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.501 ' HB3' ' CD1' ' A' ' 414' ' ' TRP . 1.0 OUTLIER 68.13 59.88 0.43 Allowed 'General case' 0 CA--C 1.517 -0.301 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 409' ' ' ASP . 29.3 t70 35.43 -102.79 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -144.49 26.9 1.97 Allowed Glycine 0 N--CA 1.436 -1.334 0 N-CA-C 108.403 -1.879 . . . . 0.0 108.403 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.509 ' CZ ' ' CE1' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -89.12 152.34 21.69 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 114.922 -0.639 . . . . 0.0 110.617 -179.148 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -87.61 113.73 23.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.33 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.561 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 37.9 m95 -124.34 143.61 50.49 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.225 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.576 ' HG3' ' H71' ' B' ' 5' ' ' ' DT' . 6.6 ttp180 -116.74 96.25 5.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.352 179.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.479 ' HG3' ' H73' ' B' ' 6' ' ' ' DT' . 13.6 ptpt -52.19 154.16 2.47 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 3.6 p90 -165.77 132.34 2.69 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.467 ' O ' ' H73' ' B' ' 7' ' ' ' DT' . . . 94.36 174.14 38.74 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.114 -0.948 . . . . 0.0 114.22 178.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -174.01 123.7 0.33 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.083 -0.559 . . . . 0.0 109.494 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.485 ' CE ' ' N7 ' ' C' ' 23' ' ' ' DG' . 0.3 OUTLIER -169.95 140.79 2.09 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -179.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 1.4 m -99.22 150.73 4.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.084 0.469 . . . . 0.0 111.184 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.455 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.1 OUTLIER -121.49 146.81 25.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.678 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.523 179.488 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.533 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.8 OUTLIER -75.13 174.29 9.62 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.13 -11.51 1.4 Allowed Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.371 -0.919 . . . . 0.0 111.491 -178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.699 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 1.8 t30 -160.1 52.35 0.45 Allowed Pre-proline 0 N--CA 1.45 -0.467 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.562 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 25.3 Cg_exo -27.76 71.52 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.967 0 C-N-CA 124.907 3.738 . . . . 0.0 114.411 -178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 49.2 m-85 -152.84 147.82 19.63 Favored Pre-proline 0 C--N 1.325 -0.479 0 C-N-CA 120.314 -0.555 . . . . 0.0 112.449 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.505 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 85.0 Cg_endo -81.21 129.02 6.58 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.005 2.47 . . . . 0.0 112.133 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.455 ' HD2' HG13 ' A' ' 422' ' ' VAL . 17.9 mtp180 -87.51 156.68 19.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.795 -179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.24 139.07 53.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.424 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.527 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.0 OUTLIER -115.87 109.82 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.5 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.73 ' CE1' HD21 ' A' ' 407' ' ' LEU . 31.3 m-85 -99.49 136.93 38.7 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.018 0.437 . . . . 0.0 111.602 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.436 ' HG3' ' CE2' ' A' ' 417' ' ' TYR . 1.3 mtpp -122.43 116.75 24.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.181 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.561 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 1.7 t -83.45 133.39 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.816 0.341 . . . . 0.0 110.222 179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.7 p -113.39 149.68 33.76 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.611 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.66 139.73 1.38 Allowed Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.496 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.7 Cg_endo -52.05 80.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.453 2.102 . . . . 0.0 112.231 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 113.84 2.86 23.73 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.0 113.101 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.11 152.58 50.99 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.336 0.589 . . . . 0.0 111.799 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.68 107.0 0.31 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.979 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 463' ' ' HIS . 4.0 t -123.14 150.1 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.492 0.187 . . . . 0.0 110.671 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -108.36 178.59 4.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.666 0.27 . . . . 0.0 110.343 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.461 ' HE3' HD11 ' A' ' 407' ' ' LEU . 4.6 ttpm? -166.07 140.54 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.801 0.334 . . . . 0.0 110.778 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -111.89 135.89 51.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.53 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.551 HG11 HD22 ' A' ' 407' ' ' LEU . 20.2 t -131.63 121.38 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.87 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.452 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.6 OUTLIER -135.45 154.96 51.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.262 -179.449 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.467 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 2.1 mpt_? -96.3 165.08 12.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.488 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -92.67 129.79 38.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.961 0.41 . . . . 0.0 111.342 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.699 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -48.06 -52.16 21.34 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.934 -0.575 . . . . 0.0 112.087 -179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 10.0 t -97.07 30.48 2.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.564 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.488 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 25.4 t0 -172.79 89.93 0.4 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.046 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.49 -12.89 37.62 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 122.413 2.075 . . . . 0.0 112.335 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.99 -20.6 23.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.89 129.03 36.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.709 0.29 . . . . 0.0 110.826 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 20.3 t -121.77 148.58 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.985 0.421 . . . . 0.0 111.561 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.452 HG22 ' HB2' ' A' ' 446' ' ' GLU . 0.9 OUTLIER -108.12 143.25 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.782 179.155 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 1.9 m -132.57 123.39 26.39 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.11 128.0 53.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.496 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -101.71 122.84 44.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.809 0.338 . . . . 0.0 111.163 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -106.3 97.61 7.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.933 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 91.93 145.02 14.51 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 7.0 pttt -91.63 178.55 5.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.477 ' CD2' ' N ' ' A' ' 463' ' ' HIS . 1.4 m-70 -118.06 139.69 50.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.14 54.21 0.76 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.967 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.611 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 -161.15 143.86 12.52 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -72.59 -179.33 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.614 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.571 HD13 ' HD2' ' A' ' 468' ' ' PRO . 1.7 mm? -68.86 123.15 87.37 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.661 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.571 ' HD2' HD13 ' A' ' 467' ' ' LEU . 64.4 Cg_endo -74.19 79.61 2.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.398 2.066 . . . . 0.0 112.428 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.427 -0.796 . . . . 0.0 111.304 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.466 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.439 -0.647 0 C3'-C2'-C1' 105.354 1.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.552 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 102.15 -0.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.645 ' C6 ' ' H72' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C1'-O4'-C4' 110.513 0.58 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.645 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.049 1.678 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.467 ' H73' ' O ' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C4'-C3'-C2' 104.575 1.375 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.405 ' O6 ' ' HA2' ' A' ' 418' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C4'-C3'-C2' 102.628 -0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.483 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.483 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.654 0.682 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 N19-C1'-C2' 115.153 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.771 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.631 0 C3'-C2'-C1' 105.261 1.829 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.771 " O5'" H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C3'-C2'-C1' 103.903 0.86 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.713 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C4'-C3'-C2' 103.901 0.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.401 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.873 1.552 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.435 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.718 0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.435 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.449 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.952 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.449 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.442 0.53 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.487 H2'' ' N7 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.117 -0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.487 ' N7 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.962 0.784 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.461 ' N ' ' HZ1' ' A' ' 443' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.917 0.389 . . . . 0.0 111.083 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -177.61 49.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.963 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 43.97 62.49 1.93 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.716 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -72.27 -15.42 61.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 148.37 -29.44 1.33 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.189 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.817 ' OH ' HD22 ' A' ' 467' ' ' LEU . 66.2 m-85 -113.97 -173.9 2.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.837 0.351 . . . . 0.0 110.69 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.88 119.93 36.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.278 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.447 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 44.1 m95 -115.1 137.53 51.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.077 0.465 . . . . 0.0 111.812 -179.147 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -110.4 124.98 52.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.784 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.465 ' HB2' ' CZ ' ' A' ' 432' ' ' TYR . 2.0 ttpt -73.2 142.97 47.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.763 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.516 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 29.0 p90 -175.51 141.01 0.5 Allowed 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 81.57 72.37 1.25 Allowed Glycine 0 C--N 1.333 0.402 0 CA-C-N 114.488 -1.233 . . . . 0.0 114.626 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.36 114.39 15.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.269 0.535 . . . . 0.0 110.13 178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 16.2 ttpt -132.64 155.62 48.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.546 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 11.1 p -115.43 142.36 28.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.688 0.28 . . . . 0.0 110.906 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.1 m -123.82 145.46 30.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.485 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.585 ' C ' ' H ' ' A' ' 425' ' ' ASN . 12.5 mptt -81.2 -178.75 7.05 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.54 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.8 -10.07 0.58 Allowed Glycine 0 CA--C 1.521 0.457 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.593 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.652 ' O ' ' N ' ' A' ' 427' ' ' TYR . 37.4 t30 -161.05 54.44 0.55 Allowed Pre-proline 0 N--CA 1.447 -0.576 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 179.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.536 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 47.5 Cg_exo -28.09 71.65 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.668 3.578 . . . . 0.0 114.294 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.652 ' N ' ' O ' ' A' ' 425' ' ' ASN . 38.8 m-85 -151.32 147.03 19.64 Favored Pre-proline 0 C--N 1.328 -0.369 0 C-N-CA 120.653 -0.419 . . . . 0.0 111.786 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 85.8 Cg_endo -83.19 125.99 4.18 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.774 2.316 . . . . 0.0 112.54 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.474 ' HG2' ' N ' ' A' ' 430' ' ' SER . 2.1 ttt180 -88.19 154.3 20.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.474 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 0.7 OUTLIER -128.46 137.19 51.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.763 179.129 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.516 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 60.2 m-85 -106.36 101.8 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.759 -0.377 . . . . 0.0 111.646 -179.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 416' ' ' LYS . 25.4 m-85 -99.65 113.92 26.66 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.597 179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 11.0 pttt -115.01 128.54 56.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.926 0.394 . . . . 0.0 111.219 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.447 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.5 t -76.14 116.94 17.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.849 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.48 160.08 14.55 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 178.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.806 HG21 ' CE1' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -176.81 140.78 0.49 Allowed Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 179.671 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.507 ' HD2' HG22 ' A' ' 436' ' ' THR . 50.8 Cg_exo -53.86 84.5 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 121.98 1.787 . . . . 0.0 111.705 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.31 3.14 27.7 Favored Glycine 0 CA--C 1.522 0.495 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.99 -179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.405 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -140.06 155.21 47.15 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-O 121.347 0.594 . . . . 0.0 111.883 -179.596 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.33 113.49 0.57 Allowed Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.466 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 11.6 t -125.31 156.23 34.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.412 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.3 OUTLIER -116.07 142.44 46.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.224 0.535 . . . . 0.0 111.697 -179.346 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.461 ' HZ1' ' N ' ' A' ' 407' ' ' LEU . 11.1 ttpt -134.11 136.81 44.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.303 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -111.81 144.2 41.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.082 0.468 . . . . 0.0 111.541 -178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 23.8 t -132.82 121.7 45.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.281 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.561 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.7 OUTLIER -137.99 158.71 43.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.031 0.443 . . . . 0.0 111.722 -179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.466 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 10.0 mpt_? -101.64 159.46 15.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.055 179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -91.79 126.04 36.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.965 0.412 . . . . 0.0 111.071 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.44 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.19 -49.0 6.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.913 -179.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.01 -27.64 23.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.098 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.662 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.6 t0 -112.76 90.33 15.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.191 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.63 -14.17 42.89 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.448 2.099 . . . . 0.0 112.422 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -96.96 -17.68 19.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.23 127.52 35.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 22.7 t -116.61 143.6 26.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.541 -179.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -103.78 142.88 16.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.358 179.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.49 118.53 19.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 0.0 111.835 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 2.0 m -118.26 131.03 56.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.776 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.442 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 55.2 m-85 -103.19 117.16 33.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.869 0.366 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -113.71 107.77 16.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.032 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 101.39 151.98 25.06 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.868 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.99 165.53 11.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.48 ' CG ' ' CE2' ' A' ' 412' ' ' TYR . 2.7 m-70 -104.31 138.24 41.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.176 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -93.43 24.62 3.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.156 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.806 ' CE1' HG21 ' A' ' 436' ' ' THR . 21.1 p80 -141.59 55.52 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.027 0.441 . . . . 0.0 109.965 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.579 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.3 OUTLIER 27.0 -158.9 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 114.931 -1.031 . . . . 0.0 112.61 179.265 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.817 HD22 ' OH ' ' A' ' 412' ' ' TYR . 0.2 OUTLIER -95.41 108.87 42.1 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.407 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -61.54 84.27 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.564 2.176 . . . . 0.0 112.374 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.161 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.449 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.449 0.29 0 O5'-C5'-C4' 111.059 0.614 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.686 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 105.382 1.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.686 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.287 0.42 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.528 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 107.381 1.165 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.528 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C1'-O4'-C4' 110.237 0.384 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.403 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.591 0.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.458 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 102.117 -0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.488 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.97 -0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.444 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 102.436 -0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.247 0 O5'-C5'-C4' 110.96 0.543 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.692 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 103.926 0.876 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.692 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C4'-C3'-C2' 103.955 0.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.448 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C3'-C2'-C1' 105.17 1.764 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.57 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C1'-C2' 106.944 0.767 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.544 ' C6 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 106.692 0.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.544 ' N6 ' ' C6 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.493 0.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.419 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.419 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.943 0.402 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.58 -23.28 15.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.243 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -176.4 125.62 0.18 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -121.31 14.37 11.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 112.26 -16.39 24.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.586 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -124.92 153.59 42.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 110.797 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -80.99 125.92 30.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.482 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.477 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 61.8 m95 -123.51 141.4 52.04 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.963 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -110.55 119.01 37.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.008 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -64.88 134.66 54.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.62 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.498 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -156.18 130.08 8.52 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 121.581 0.705 . . . . 0.0 112.829 179.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.531 ' N ' ' H71' ' B' ' 7' ' ' ' DT' . . . 77.57 177.75 47.16 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.886 178.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.04 150.08 6.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.05 141.21 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.567 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.18 144.62 14.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.062 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 3.7 m -129.03 147.35 33.38 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 CA-C-O 121.001 0.429 . . . . 0.0 112.155 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.596 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.09 179.46 7.61 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.341 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.02 -15.99 0.32 Allowed Glycine 0 CA--C 1.523 0.534 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.761 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.633 ' O ' ' N ' ' A' ' 427' ' ' TYR . 6.2 t30 -157.44 54.19 0.78 Allowed Pre-proline 0 N--CA 1.45 -0.454 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.575 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 52.8 Cg_exo -28.23 72.45 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.788 3.659 . . . . 0.0 114.243 -178.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.633 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.5 m-85 -152.95 144.06 16.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.613 -0.435 . . . . 0.0 111.629 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -83.27 132.38 6.02 Favored 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 122.814 2.342 . . . . 0.0 112.08 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -99.31 164.79 11.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 4.1 m -135.32 148.71 49.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.774 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.498 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 18.0 m-85 -109.75 99.96 9.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.778 0.323 . . . . 0.0 111.126 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 36.3 m-85 -98.87 124.26 43.67 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.786 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.429 ' CG ' ' HG2' ' A' ' 442' ' ' ARG . 16.1 mttt -117.06 116.84 28.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.987 -179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.477 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -70.23 127.76 33.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.778 178.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.43 163.06 13.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.664 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -172.41 168.42 2.92 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.026 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.664 ' HD2' HG22 ' A' ' 436' ' ' THR . 31.9 Cg_exo -52.13 -51.6 10.8 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 120.987 1.125 . . . . 0.0 111.252 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -124.25 33.0 3.97 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.79 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.41 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 2.3 t -143.28 147.77 35.31 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.729 0.776 . . . . 0.0 112.477 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -153.54 108.56 0.37 Allowed Glycine 0 N--CA 1.45 -0.383 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.842 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 434' ' ' CYS . 14.7 t -124.42 154.85 31.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.605 0.24 . . . . 0.0 110.689 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.429 ' HG2' ' CG ' ' A' ' 433' ' ' LYS . 12.1 mtp180 -104.71 175.77 5.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.985 0.421 . . . . 0.0 111.149 -179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.485 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 26.3 ttpt -169.63 136.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.391 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -111.77 138.01 48.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.784 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 26.0 t -128.61 121.58 55.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -147.2 162.86 38.03 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.718 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.423 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 1.5 mpt_? -107.19 167.32 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.533 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -88.79 128.94 35.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.349 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.55 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -44.57 -52.07 8.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.848 -0.614 . . . . 0.0 112.186 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.2 p -85.29 -27.77 25.74 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.989 0.423 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.533 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 6.9 t0 -113.0 88.91 12.72 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.192 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.65 -19.78 47.53 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.438 2.092 . . . . 0.0 111.968 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -23.88 32.13 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -86.75 128.7 35.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.978 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 22.6 t -117.44 143.12 28.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.3 m -106.68 141.18 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 122.94 25.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.836 0.35 . . . . 0.0 111.574 -179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -118.38 127.92 54.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.943 179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.485 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 54.1 m-85 -100.96 119.99 39.52 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.047 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -116.1 106.09 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.12 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.9 -158.22 21.85 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 141.54 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.784 0.326 . . . . 0.0 110.665 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -99.18 123.02 43.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.936 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 54.0 p30 -104.84 37.13 2.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.472 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.489 ' HD1' ' H ' ' A' ' 466' ' ' ASP . 15.1 p80 -127.41 -121.8 0.24 Allowed 'General case' 0 CA--C 1.539 0.525 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.77 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.489 ' H ' ' HD1' ' A' ' 465' ' ' HIS . 4.7 t0 -165.0 -178.01 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -75.69 111.26 13.58 Favored Pre-proline 0 C--N 1.325 -0.47 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.637 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 466' ' ' ASP . 91.2 Cg_endo -80.95 80.05 3.13 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.482 2.121 . . . . 0.0 112.482 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.316 179.875 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.466 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.333 0 O5'-C5'-C4' 111.02 0.586 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.466 ' C6 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 104.034 0.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.464 ' H72' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.646 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.522 1.301 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.646 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.286 0.419 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.49 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.019 0.836 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 O4'-C1'-C2' 106.712 0.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.514 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 O4'-C1'-C2' 106.827 0.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.514 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.503 1.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.431 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C4'-C3'-O3' 111.275 0.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.432 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.45 0.403 0 O5'-C5'-C4' 111.085 0.632 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.477 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.226 1.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.466 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 105.351 1.893 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.665 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.665 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.301 0.43 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.445 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 106.821 0.656 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.281 0.415 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.428 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 103.659 0.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.428 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.67 0.518 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 13.3 mt . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 59.47 39.0 22.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.01 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 37.02 65.01 0.53 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.252 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -70.9 -12.21 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.777 179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 155.29 -32.28 0.65 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.21 -0.519 . . . . 0.0 111.954 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.402 ' HE1' HD22 ' A' ' 467' ' ' LEU . 22.9 m-85 -119.94 -169.59 1.81 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.426 -0.212 . . . . 0.0 110.426 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -118.18 121.71 41.2 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.691 0.282 . . . . 0.0 110.581 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.446 ' CD2' ' HB2' ' A' ' 434' ' ' CYS . 38.9 m95 -118.79 139.98 50.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.035 0.445 . . . . 0.0 111.655 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.407 ' HG2' ' C7 ' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -120.87 125.78 48.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.84 -179.783 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.76 134.3 56.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.806 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 0.1 OUTLIER -143.7 127.07 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.367 0.603 . . . . 0.0 112.107 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.23 173.22 20.4 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.234 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -173.7 137.47 0.61 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.995 0.426 . . . . 0.0 110.546 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -164.62 157.09 16.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.43 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.7 p -109.73 146.49 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.632 179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.47 150.91 32.5 Favored 'Isoleucine or valine' 0 C--O 1.243 0.736 0 CA-C-O 120.976 0.417 . . . . 0.0 111.887 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 6.0 ptmt -79.52 179.39 7.5 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.304 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 67.8 -12.63 0.76 Allowed Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.39 -0.91 . . . . 0.0 111.617 -178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.684 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.5 t30 -159.99 55.0 0.67 Allowed Pre-proline 0 N--CA 1.451 -0.413 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.57 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 50.2 Cg_exo -28.96 70.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.355 0.917 0 C-N-CA 124.747 3.631 . . . . 0.0 113.984 -178.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.684 ' N ' ' O ' ' A' ' 425' ' ' ASN . 39.3 m-85 -152.2 148.82 21.84 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 120.361 -0.536 . . . . 0.0 112.359 -179.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.432 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.4 Cg_endo -83.23 126.3 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.975 2.45 . . . . 0.0 112.092 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 44.6 ttp180 -94.65 163.34 13.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.522 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.6 m -137.79 146.16 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.79 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 23.4 m-85 -113.22 107.17 15.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 0.0 110.567 179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -97.92 125.8 43.0 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.361 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.405 ' CB ' ' HG2' ' A' ' 442' ' ' ARG . 13.7 pttt -118.34 127.41 53.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 111.481 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.446 ' HB2' ' CD2' ' A' ' 414' ' ' TRP . 0.1 OUTLIER -82.37 126.24 31.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.375 179.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.05 155.53 18.32 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.469 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -173.71 132.83 0.58 Allowed Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 179.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.14 87.74 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 121.966 1.777 . . . . 0.0 111.957 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 111.0 1.79 28.44 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.708 -179.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.04 157.7 44.62 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.469 0.652 . . . . 0.0 112.258 -179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -161.28 112.56 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 114.653 -1.158 . . . . 0.0 112.103 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 21.8 t -127.79 161.24 36.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.461 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 35.8 mtm180 -134.06 160.32 38.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.341 0.591 . . . . 0.0 111.882 -179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.462 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 15.6 pttt -149.79 157.1 42.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.189 -0.914 . . . . 0.0 109.188 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.446 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.1 m80 -115.46 146.26 41.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 111.99 -178.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.449 HG22 HG23 ' A' ' 457' ' ' THR . 79.2 t -129.92 121.18 51.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -137.02 152.89 50.64 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.204 -179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.48 129.41 55.56 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.01 179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -55.67 120.79 7.83 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.659 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -42.86 -48.22 5.73 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.973 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 452' ' ' PRO . 0.7 OUTLIER -80.69 -31.54 36.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.041 0.448 . . . . 0.0 110.707 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.73 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 3.4 t0 -112.41 86.75 8.53 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.314 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 450' ' ' THR . 21.4 Cg_exo -63.97 -17.98 61.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.62 2.214 . . . . 0.0 111.931 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.65 -21.11 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.73 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -87.73 129.34 35.2 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.5 146.86 23.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.203 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.432 ' O ' ' CG2' ' A' ' 456' ' ' VAL . 0.7 OUTLIER -123.7 122.94 66.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.242 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.449 HG23 HG22 ' A' ' 445' ' ' VAL . 1.1 m -113.15 135.65 53.58 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.988 0.423 . . . . 0.0 111.854 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.08 133.36 55.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.462 179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.462 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.9 m-85 -104.13 121.44 43.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.93 0.395 . . . . 0.0 111.229 -179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -115.68 108.08 15.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 104.78 153.29 22.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 113.187 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -107.44 159.22 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.758 -0.221 . . . . 0.0 110.44 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 13.7 m-70 -102.63 136.64 42.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.811 0.338 . . . . 0.0 110.779 179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -96.13 40.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 436' ' ' THR . 27.0 p80 -151.58 149.4 29.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.714 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -72.55 -84.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.598 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.1 OUTLIER -137.95 129.74 16.13 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.312 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.598 ' HD2' HD13 ' A' ' 467' ' ' LEU . 61.2 Cg_endo -75.03 114.28 3.99 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.333 2.022 . . . . 0.0 112.377 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.158 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.58 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.569 0 C3'-C2'-C1' 105.237 1.812 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.632 " C2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.12 -0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.632 ' H71' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.473 0.552 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.611 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-C1' 105.398 1.927 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.611 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.463 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C3'-C2'-C1' 102.123 -0.412 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.484 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.642 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.476 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-C1' 105.411 1.936 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.435 " O5'" H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C4'-C3'-O3' 111.394 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.251 0 N19-C1'-C2' 115.267 0.667 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.759 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.624 0.66 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.759 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C4'-C3'-C2' 103.97 0.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.468 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.866 1.547 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 O4'-C1'-C2' 106.678 0.525 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 106.779 0.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 106.835 0.668 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.42 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C4'-C3'-C2' 103.611 0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.42 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 106.741 0.582 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.765 0.317 . . . . 0.0 111.258 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 144.74 28.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -36.67 103.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.49 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -90.43 11.49 21.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.549 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.425 ' O ' ' HD2' ' A' ' 468' ' ' PRO . . . 146.59 -24.41 1.67 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.041 179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -118.09 -173.66 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.721 0.296 . . . . 0.0 111.056 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.08 117.96 32.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.453 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.44 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 52.5 m95 -119.95 139.66 52.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.459 -179.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.7 ttm180 -126.06 110.05 13.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.889 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 432' ' ' TYR . 0.0 OUTLIER -52.58 161.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CE2' ' HB3' ' A' ' 431' ' ' TYR . 0.4 OUTLIER -173.19 138.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.176 0.512 . . . . 0.0 111.633 178.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 74.34 -178.99 43.65 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.386 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -176.63 85.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.9 0.381 . . . . 0.0 110.671 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.92 151.88 19.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.432 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -115.22 145.78 20.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 110.864 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.741 HG13 ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -124.47 140.98 46.11 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.884 -179.505 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.59 ' C ' ' H ' ' A' ' 425' ' ' ASN . 2.3 mttp -83.21 -178.55 7.13 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.863 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 60.1 -4.44 0.21 Allowed Glycine 0 CA--C 1.523 0.558 0 C-N-CA 120.234 -0.984 . . . . 0.0 111.766 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.645 ' O ' ' N ' ' A' ' 427' ' ' TYR . 1.3 m120 -161.0 54.16 0.53 Allowed Pre-proline 0 N--CA 1.449 -0.525 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.551 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 28.5 Cg_exo -30.51 72.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 124.317 3.344 . . . . 0.0 114.134 -178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.645 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.6 m-85 -152.77 139.85 12.8 Favored Pre-proline 0 C--N 1.329 -0.295 0 C-N-CA 120.488 -0.485 . . . . 0.0 111.476 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -82.3 128.58 5.61 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.819 2.346 . . . . 0.0 112.088 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.741 ' HD2' HG13 ' A' ' 422' ' ' VAL . 3.8 mtp180 -85.53 156.33 20.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.812 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 2.0 m -128.07 138.03 52.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.503 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CE2' ' A' ' 417' ' ' TYR . 6.2 m-85 -107.61 95.95 6.06 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 416' ' ' LYS . 19.4 m-85 -91.58 122.79 34.47 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.415 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 5.5 pttm -119.93 132.09 55.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.061 0.457 . . . . 0.0 111.571 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.44 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 3.8 t -85.67 132.76 34.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.338 179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.65 153.17 28.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.74 179.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.731 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -172.49 139.36 0.97 Allowed Pre-proline 0 C--N 1.328 -0.351 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.522 ' HD2' HG22 ' A' ' 436' ' ' THR . 10.3 Cg_endo -53.17 81.51 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.52 2.147 . . . . 0.0 112.254 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.01 -1.0 22.82 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.895 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -133.96 152.1 51.72 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.166 0.507 . . . . 0.0 111.405 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -155.29 106.32 0.29 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.139 -0.937 . . . . 0.0 111.94 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 18.0 t -124.32 157.35 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.441 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.2 OUTLIER -134.81 162.0 33.61 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.098 0.475 . . . . 0.0 111.151 -179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . . . . . . . . . 7.3 pttt -150.11 156.46 41.68 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.703 -0.681 . . . . 0.0 109.757 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.439 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.4 OUTLIER -112.25 146.8 37.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.029 0.442 . . . . 0.0 111.485 -179.038 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.6 t -131.42 121.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.089 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.447 ' O ' HG13 ' A' ' 455' ' ' VAL . 0.0 OUTLIER -133.71 156.07 48.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.061 0.458 . . . . 0.0 111.604 -178.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -101.53 157.12 17.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.543 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -96.09 124.82 40.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.408 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.436 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -68.5 -6.8 27.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.759 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 1.6 p -125.14 18.6 8.37 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.767 0.317 . . . . 0.0 110.811 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.54 ' OD2' ' HB2' ' A' ' 454' ' ' ALA . 49.4 t0 178.56 85.77 0.16 Allowed Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.422 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.51 -22.78 52.77 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.487 2.125 . . . . 0.0 112.424 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -78.68 -16.38 57.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.561 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.54 ' HB2' ' OD2' ' A' ' 451' ' ' ASP . . . -100.51 125.04 46.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 111.249 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 446' ' ' GLU . 21.3 t -118.88 146.35 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.2 m -105.09 137.11 36.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.3 m -132.94 125.12 29.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.895 0.379 . . . . 0.0 111.887 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 63.4 m -117.0 126.88 53.57 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.437 179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -106.45 126.94 52.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.217 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.4 117.93 19.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.668 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 103.73 131.36 7.2 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.699 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.76 162.99 16.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 110.997 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 49.6 m-70 -103.56 137.31 41.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.022 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -111.06 58.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.635 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.731 ' CG ' HG21 ' A' ' 436' ' ' THR . 28.2 p80 -166.51 154.28 9.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.875 0.369 . . . . 0.0 111.504 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.554 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.6 OUTLIER -50.89 -70.07 0.09 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.305 179.134 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.724 HD12 ' O ' ' A' ' 467' ' ' LEU . 0.7 OUTLIER 146.05 159.93 0.0 OUTLIER Pre-proline 0 N--CA 1.469 0.498 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.678 178.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.425 ' HD2' ' O ' ' A' ' 411' ' ' GLY . 7.4 Cg_endo -90.47 116.0 0.55 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 123.272 2.648 . . . . 0.0 112.075 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.139 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.656 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.529 0.607 0 C3'-C2'-C1' 105.05 1.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.656 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C4'-C3'-C2' 103.736 0.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.456 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C1'-O4'-C4' 110.262 0.401 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 N19-C1'-C2' 115.092 0.558 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.999 0.799 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.264 0.403 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 104.091 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.478 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.645 0.675 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.477 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 104.241 1.041 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 101.85 -0.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.449 0.282 0 O5'-C5'-C4' 111.122 0.659 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.46 ' N2 ' ' O2 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 107.023 0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.478 ' N2 ' ' O2 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 106.128 0.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C3'-C2'-C1' 105.189 1.778 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.639 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C1'-O4'-C4' 110.446 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 106.0 0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 106.159 0.559 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.47 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 106.196 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.47 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C4'-C3'-C2' 103.941 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-O3' 111.267 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.585 HD23 HG21 ' A' ' 445' ' ' VAL . 23.9 tp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.871 0.367 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 409' ' ' ASP . 1.2 tp -89.99 -10.04 46.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.465 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 408' ' ' LEU . 4.5 t0 178.04 131.66 0.07 Allowed 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.959 0.409 . . . . 0.0 111.521 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 41.7 p30 -128.25 18.91 6.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.203 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 114.98 -19.32 15.56 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.556 -0.747 . . . . 0.0 112.05 -179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -116.53 -172.71 2.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.721 179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.415 ' HA ' ' NE ' ' A' ' 413' ' ' ARG . 2.1 mmp_? -113.89 113.61 25.11 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.321 179.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.436 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 50.9 m95 -113.49 137.85 50.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.639 -179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 1.3 ttm180 -111.42 112.92 25.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -60.48 143.66 53.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.123 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.455 ' CZ ' ' CB ' ' A' ' 431' ' ' TYR . 1.3 p90 -161.42 132.67 5.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.366 0.603 . . . . 0.0 112.559 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 72.26 174.08 22.69 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 114.99 -1.005 . . . . 0.0 113.862 178.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -170.72 112.35 0.4 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 16.0 tptt -129.51 150.01 51.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.29 -178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.9 p -114.2 144.44 21.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.427 179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.43 153.44 35.01 Favored 'Isoleucine or valine' 0 C--O 1.243 0.74 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.607 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -79.48 -179.98 7.13 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.327 179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.4 -13.55 0.39 Allowed Glycine 0 CA--C 1.522 0.49 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.686 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.667 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 8.0 t30 -160.41 57.04 0.87 Allowed Pre-proline 0 N--CA 1.449 -0.511 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.55 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 32.8 Cg_exo -33.15 72.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 124.334 3.356 . . . . 0.0 113.762 -178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.659 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.7 m-85 -150.96 139.93 13.35 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 112.736 0.643 . . . . 0.0 112.736 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.404 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 95.6 Cg_endo -83.43 127.88 4.59 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.141 2.561 . . . . 0.0 111.956 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.459 ' HG2' ' CG ' ' A' ' 446' ' ' GLU . 0.0 OUTLIER -96.18 169.71 9.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.074 0.464 . . . . 0.0 111.197 -179.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.06 145.42 47.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.147 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.455 ' CB ' ' CZ ' ' A' ' 417' ' ' TYR . 11.5 m-85 -110.54 102.1 10.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.729 0.299 . . . . 0.0 111.596 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -99.46 121.71 41.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.479 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -117.71 126.16 51.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.038 0.447 . . . . 0.0 111.352 179.676 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.449 ' N ' ' O ' ' A' ' 441' ' ' VAL . 1.6 t -72.7 132.1 43.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.748 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 12.5 p -107.3 156.03 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.155 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.599 HG23 ' HD2' ' A' ' 437' ' ' PRO . 99.1 m -169.82 144.74 2.37 Favored Pre-proline 0 C--N 1.326 -0.449 0 N-CA-C 108.334 -0.987 . . . . 0.0 108.334 179.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.599 ' HD2' HG23 ' A' ' 436' ' ' THR . 5.2 Cg_exo -37.02 -53.98 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.471 2.114 . . . . 0.0 112.082 -179.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -118.24 27.43 7.35 Favored Glycine 0 CA--C 1.52 0.381 0 C-N-CA 120.584 -0.817 . . . . 0.0 113.175 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 436' ' ' THR . 0.0 OUTLIER -143.51 158.24 43.81 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.674 0.749 . . . . 0.0 112.838 -179.588 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.3 109.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.351 0 CA-C-N 114.25 -1.341 . . . . 0.0 111.863 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 434' ' ' CYS . 18.3 t -124.59 158.77 31.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.479 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -109.94 177.68 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.171 0.51 . . . . 0.0 111.648 -179.337 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.475 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 31.9 ttpt -169.35 136.74 1.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.758 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.87 140.52 46.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 111.359 -179.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.585 HG21 HD23 ' A' ' 407' ' ' LEU . 18.6 t -128.28 121.09 54.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.42 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.534 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.5 mp0 -135.58 153.69 51.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.929 0.395 . . . . 0.0 111.675 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.418 ' N ' ' HD2' ' A' ' 447' ' ' ARG . 9.6 mpt_? -96.4 163.87 12.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.356 179.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -93.35 128.81 39.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.922 0.391 . . . . 0.0 111.09 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.667 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -47.53 -52.27 18.01 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.708 -179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.67 22.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -176.76 100.51 0.24 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 120.628 0.251 . . . . 0.0 111.333 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -69.54 -8.05 22.58 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.686 2.257 . . . . 0.0 112.207 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 21.8 mtmm -93.3 -17.71 23.28 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.331 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -89.6 126.4 35.6 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.728 0.299 . . . . 0.0 110.749 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 23.6 t -119.03 146.08 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 0.0 111.725 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.534 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.3 m -108.96 143.83 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.874 179.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.13 121.31 23.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.0 0.429 . . . . 0.0 111.978 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.63 130.47 55.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.475 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 46.0 m-85 -100.13 118.43 36.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 0.0 111.07 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -104.27 98.61 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.026 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 102.3 151.39 23.75 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.886 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.59 165.89 11.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.794 0.33 . . . . 0.0 110.849 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -103.5 132.28 49.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.2 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -103.87 63.12 0.76 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.11 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.543 ' CD2' HG21 ' A' ' 436' ' ' THR . 16.6 p80 -172.0 161.82 5.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.658 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -84.15 174.4 10.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.226 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.487 ' HA ' HD22 ' A' ' 467' ' ' LEU . 0.2 OUTLIER -74.7 118.29 68.99 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.897 -179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.71 99.23 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.564 2.176 . . . . 0.0 112.315 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.166 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.453 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.322 0 C1'-O4'-C4' 110.389 0.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.485 " H2'" ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 105.427 1.948 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.485 ' C5 ' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C1'-O4'-C4' 110.627 0.662 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.453 ' H73' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 104.609 1.364 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 O4'-C1'-C2' 106.569 0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.455 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 106.729 0.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.463 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.473 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.409 -0.858 0 C4'-C3'-C2' 104.829 1.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.443 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C4'-C3'-O3' 111.363 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.565 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.524 0.578 0 C3'-C2'-C1' 105.41 1.936 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.824 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.651 0.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.824 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 105.442 1.959 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.767 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C4'-C3'-C2' 105.103 1.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.767 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 101.852 -0.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.488 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 O4'-C1'-C2' 107.011 0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.488 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.599 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 106.746 0.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.689 HD12 HG21 ' A' ' 445' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.839 0.352 . . . . 0.0 111.412 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 410' ' ' ASP . 0.3 OUTLIER -73.2 64.34 0.76 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.772 -179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -45.76 94.88 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.262 0.553 . . . . 0.0 111.285 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.401 ' N ' ' O ' ' A' ' 408' ' ' LEU . 2.0 t0 -164.18 45.44 0.11 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.466 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 177.78 -56.34 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.48 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.433 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.7 m-85 -123.14 150.29 43.47 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.244 -0.28 . . . . 0.0 110.244 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.416 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 13.2 tpp180 -79.7 129.41 34.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.799 0.333 . . . . 0.0 110.341 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.433 ' CD1' ' O ' ' A' ' 412' ' ' TYR . 65.5 m95 -120.7 142.22 49.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.56 -179.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 28.6 ttp180 -116.97 111.74 20.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.316 -179.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.499 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 23.5 tttt -74.1 100.38 3.61 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.657 179.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 431' ' ' TYR . 4.3 p90 -112.24 147.94 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.216 0.531 . . . . 0.0 111.57 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.28 -178.3 34.63 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.034 179.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.62 131.76 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.743 0.306 . . . . 0.0 110.375 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 154.87 22.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.343 -179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.449 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.0 p -106.67 142.58 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.818 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 17.5 m -123.04 140.48 46.62 Favored 'Isoleucine or valine' 0 C--O 1.241 0.652 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.435 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.554 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -76.56 -178.39 4.67 Favored 'General case' 0 N--CA 1.458 -0.06 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.398 179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 69.59 -16.4 0.76 Allowed Glycine 0 CA--C 1.521 0.416 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.674 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.624 ' O ' ' N ' ' A' ' 427' ' ' TYR . 22.5 t30 -160.12 61.54 1.64 Allowed Pre-proline 0 N--CA 1.449 -0.504 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -29.37 72.66 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 124.749 3.633 . . . . 0.0 114.311 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.624 ' N ' ' O ' ' A' ' 425' ' ' ASN . 50.5 m-85 -152.71 143.53 15.73 Favored Pre-proline 0 C--N 1.327 -0.412 0 C-N-CA 120.443 -0.503 . . . . 0.0 112.069 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.449 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.3 Cg_endo -82.61 128.72 5.43 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.921 2.414 . . . . 0.0 112.13 179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.58 152.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.973 0.416 . . . . 0.0 111.374 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 49.1 m -126.66 141.42 51.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.978 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 417' ' ' TYR . 14.5 m-85 -103.86 81.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.85 0.357 . . . . 0.0 111.658 -179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.499 ' CE1' ' HB2' ' A' ' 416' ' ' LYS . 41.9 m-85 -80.9 115.59 20.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.006 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -116.42 143.13 45.95 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 111.209 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.432 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 4.1 t -87.72 137.05 32.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.245 179.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 30.3 p -115.56 148.14 39.9 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.47 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.6 OUTLIER -170.54 137.23 1.23 Allowed Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.378 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.75 83.29 0.03 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 122.16 1.907 . . . . 0.0 111.554 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.66 0.14 15.56 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.818 -0.705 . . . . 0.0 112.416 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.63 150.6 46.43 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.378 0.608 . . . . 0.0 112.224 -179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.27 107.94 0.35 Allowed Glycine 0 C--N 1.332 0.335 0 CA-C-N 114.808 -1.087 . . . . 0.0 112.237 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 4.0 t -122.1 152.34 26.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.27 152.55 34.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.021 0.439 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 432' ' ' TYR . 3.2 ttmm -143.03 134.19 25.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.16 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -111.29 130.26 55.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.828 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.689 HG21 HD12 ' A' ' 407' ' ' LEU . 21.3 t -112.34 121.43 64.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.624 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 456' ' ' VAL . 7.0 tt0 -131.55 150.55 52.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.54 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.461 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.5 OUTLIER -97.35 165.09 12.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.782 0.325 . . . . 0.0 110.867 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -86.65 135.24 33.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -67.02 -14.47 62.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.523 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.26 20.97 13.97 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.14 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 59.4 t0 -179.81 100.72 0.18 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -64.67 -14.95 47.56 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.539 2.16 . . . . 0.0 112.259 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -23.25 25.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.407 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.53 129.93 34.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.755 0.312 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.55 149.86 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.521 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 446' ' ' GLU . 4.0 m -111.53 143.4 21.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.495 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.03 120.9 30.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.955 0.407 . . . . 0.0 111.859 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.8 m -121.2 127.17 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.56 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.422 ' CE1' ' HG3' ' A' ' 443' ' ' LYS . 96.3 m-85 -106.72 127.28 53.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.983 0.42 . . . . 0.0 111.489 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.34 102.39 10.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.442 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.71 -154.69 20.23 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.433 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.55 149.11 21.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.657 0.265 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -96.29 118.34 32.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.479 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.8 p30 -94.93 33.75 1.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.309 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.9 p80 -145.45 146.83 31.66 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.646 -0.252 . . . . 0.0 110.396 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -60.14 -72.45 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.947 0.403 . . . . 0.0 110.619 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 468' ' ' PRO . 0.1 OUTLIER -155.83 142.24 13.2 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.685 179.7 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 467' ' ' LEU . 32.5 Cg_exo -58.16 82.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.457 2.105 . . . . 0.0 112.146 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.201 -0.904 . . . . 0.0 111.116 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.687 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.622 0 C3'-C2'-C1' 104.995 1.639 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.722 H2'' ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.722 ' H71' H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.714 0.558 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.48 " H2'" ' H71' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.801 0 C4'-C3'-C2' 104.959 1.759 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.48 ' H71' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C4'-C3'-C2' 103.826 0.626 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.464 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-C1' 101.566 -0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.48 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.528 -0.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.519 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 107.084 0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.519 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.407 0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C4'-C3'-C2' 102.677 -0.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.442 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.516 -0.355 0 C3'-C2'-C1' 101.817 -0.63 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.678 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C3'-C2'-C1' 105.371 1.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.678 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.746 0.747 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.61 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 104.681 1.415 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.61 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 102.19 -0.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.449 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.44 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-N19 108.095 0.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.44 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 102.216 -0.346 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.411 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.985 0.421 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 6.9 tp -97.66 -80.32 0.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.209 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -131.05 53.68 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 0.0 111.956 -179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -53.35 -25.29 14.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.306 0.574 . . . . 0.0 110.012 178.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . -156.86 -51.55 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 178.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 22.2 m-85 -139.9 166.36 24.83 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.454 ' O ' ' HA ' ' A' ' 434' ' ' CYS . 7.4 mtp85 -80.38 119.02 22.54 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.687 -0.405 . . . . 0.0 111.046 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.417 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 72.7 m95 -124.28 142.46 51.24 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.773 -179.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.826 ' NH1' ' H71' ' B' ' 5' ' ' ' DT' . 0.0 OUTLIER -116.31 109.07 16.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.379 179.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -52.08 141.21 18.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.669 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.2 OUTLIER -156.0 128.02 7.49 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.533 0.682 . . . . 0.0 112.569 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.68 174.48 29.4 Favored Glycine 0 N--CA 1.451 -0.323 0 CA-C-N 114.772 -1.104 . . . . 0.0 113.789 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.1 104.34 0.18 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.859 0.361 . . . . 0.0 110.181 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.69 148.66 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.356 -179.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.423 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 10.3 p -102.6 143.54 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.775 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.66 139.97 49.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.666 0 CA-C-O 120.945 0.402 . . . . 0.0 111.758 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.583 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -79.16 -178.31 6.1 Favored 'General case' 0 C--N 1.339 0.135 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.266 179.563 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.12 -16.2 0.49 Allowed Glycine 0 CA--C 1.521 0.454 0 C-N-CA 120.35 -0.928 . . . . 0.0 111.58 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.656 ' O ' ' N ' ' A' ' 427' ' ' TYR . 18.3 t30 -156.48 58.8 1.76 Allowed Pre-proline 0 N--CA 1.448 -0.569 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.54 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 16.4 Cg_exo -28.58 71.28 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 124.74 3.627 . . . . 0.0 114.387 -178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.656 ' N ' ' O ' ' A' ' 425' ' ' ASN . 53.6 m-85 -153.13 139.8 12.65 Favored Pre-proline 0 C--N 1.326 -0.447 0 C-N-CA 120.366 -0.534 . . . . 0.0 112.076 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 90.6 Cg_endo -80.84 131.85 8.31 Favored 'Trans proline' 0 N--CA 1.459 -0.503 0 C-N-CA 122.869 2.38 . . . . 0.0 111.853 179.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 12.5 ttp180 -94.48 158.85 15.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.056 0.455 . . . . 0.0 111.431 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.4 m -130.97 145.84 52.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.952 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.493 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 65.0 m-85 -118.14 106.43 12.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.065 0.459 . . . . 0.0 111.403 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 88.8 m-85 -101.34 129.62 47.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.915 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 2.3 pttt -117.2 116.53 27.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.047 0.451 . . . . 0.0 111.303 -179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 413' ' ' ARG . 7.8 t -70.1 137.94 51.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.757 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 22.9 p -116.7 154.38 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.619 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.787 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER -172.8 160.57 3.81 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 179.032 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 436' ' ' THR . 3.5 Cg_endo -44.99 -57.58 2.01 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.142 1.895 . . . . 0.0 111.835 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -120.64 33.65 4.38 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.62 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.406 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.5 t -143.81 138.83 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 112.317 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.21 104.81 0.29 Allowed Glycine 0 CA--C 1.519 0.295 0 CA-C-N 114.239 -1.346 . . . . 0.0 111.859 179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 40.6 t -125.43 159.18 33.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.845 0.355 . . . . 0.0 111.045 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.0 OUTLIER -128.6 158.5 38.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.469 179.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 458' ' ' THR . 0.0 OUTLIER -147.72 149.62 32.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.729 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -114.01 130.6 56.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.8 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.56 HG22 HG23 ' A' ' 457' ' ' THR . 69.2 t -113.39 121.33 65.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.538 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -135.99 152.88 51.4 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -99.82 159.96 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.649 0.261 . . . . 0.0 110.52 179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -75.62 142.95 42.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.881 0.372 . . . . 0.0 111.12 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . . . . . . . . . . . -71.12 -18.82 62.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.468 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 5.6 t -121.03 26.27 9.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.231 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 54.4 t0 -178.9 97.33 0.21 Allowed Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 35.3 Cg_endo -64.71 -21.39 65.06 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.472 2.115 . . . . 0.0 112.413 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 -28.4 57.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -82.33 123.6 29.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.097 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 65.2 t -113.83 139.99 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 1.3 m -109.97 141.41 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.463 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.56 HG23 HG22 ' A' ' 445' ' ' VAL . 0.2 OUTLIER -132.35 128.06 36.84 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.993 0.425 . . . . 0.0 111.442 179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.519 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -121.1 127.1 51.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.382 179.651 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -102.86 126.73 50.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.939 0.4 . . . . 0.0 111.257 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -106.27 95.21 5.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.756 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 127.0 -149.21 17.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.58 149.37 22.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.712 0.291 . . . . 0.0 110.875 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -99.8 118.98 37.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -104.84 50.36 0.79 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.47 ' CD2' HG21 ' A' ' 436' ' ' THR . 15.0 p80 -153.84 149.41 27.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.676 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -72.58 175.5 6.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.88 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.39 114.29 20.75 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.752 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.12 83.72 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.436 2.091 . . . . 0.0 112.149 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.273 -0.87 . . . . 0.0 111.125 -179.892 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.45 0.341 0 N19-C1'-C2' 115.508 0.818 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.574 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 105.439 1.956 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.826 ' H71' ' NH1' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.334 0.453 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.64 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 104.593 1.352 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.64 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.495 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 O4'-C1'-C2' 106.743 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.404 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 106.986 0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.49 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.49 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C4'-C3'-C2' 103.836 0.636 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-O3' 111.376 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.507 H2'' ' C8 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.433 -0.414 0 O4'-C1'-C2' 106.575 0.432 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.507 ' C8 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 105.73 2.164 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.48 ' C8 ' H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.938 0.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 104.963 1.616 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.447 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 106.678 0.526 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.487 ' H62' ' NH2' ' A' ' 415' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C1'-C2' 106.937 0.761 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.067 0.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 O4'-C4'-C3' 106.354 0.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.401 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C4'-C3' 106.136 0.536 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.401 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.446 1.152 0 C4'-C3'-O3' 111.83 0.695 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.466 HD12 ' HA ' ' A' ' 407' ' ' LEU . 7.8 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.853 0.359 . . . . 0.0 111.25 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.1 mt -97.09 -101.72 0.18 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -109.61 42.6 1.45 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.728 0.299 . . . . 0.0 111.093 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -75.61 -25.27 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.097 0.475 . . . . 0.0 109.953 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.437 ' O ' ' CD1' ' A' ' 412' ' ' TYR . . . -147.36 -70.2 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.458 179.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.481 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 29.1 m-85 -142.82 167.1 22.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.59 0.233 . . . . 0.0 110.637 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -80.66 120.8 25.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.769 0.319 . . . . 0.0 111.034 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.482 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 52.9 m95 -121.58 142.28 50.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 4.4 ttm180 -132.29 111.08 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.109 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.61 169.83 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.203 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.471 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.9 OUTLIER -172.72 139.25 0.89 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.008 0.432 . . . . 0.0 111.33 179.617 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 71.83 -178.12 36.9 Favored Glycine 0 N--CA 1.451 -0.321 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.701 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -179.2 116.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.18 179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.73 152.89 52.0 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.817 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.68 141.98 30.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -123.31 143.02 37.82 Favored 'Isoleucine or valine' 0 C--O 1.242 0.677 0 CA-C-O 120.846 0.355 . . . . 0.0 111.882 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.65 ' C ' ' H ' ' A' ' 425' ' ' ASN . 8.5 mmtm -78.81 -176.26 4.87 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.932 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.459 ' O ' ' OD1' ' A' ' 425' ' ' ASN . . . 60.01 -9.72 0.04 OUTLIER Glycine 0 CA--C 1.526 0.721 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.026 -179.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.689 ' CG ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 m-20 -160.51 56.48 0.8 Allowed Pre-proline 0 N--CA 1.45 -0.47 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.565 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.7 Cg_exo -33.64 73.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.376 3.384 . . . . 0.0 114.123 -178.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.627 ' N ' ' O ' ' A' ' 425' ' ' ASN . 43.2 m-85 -152.24 137.77 11.25 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 120.676 -0.409 . . . . 0.0 111.657 -179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -83.44 127.89 4.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.903 2.402 . . . . 0.0 112.489 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 4.0 mtm180 -89.39 158.69 17.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.097 0.475 . . . . 0.0 111.488 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 1.1 m -134.3 143.24 47.62 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.333 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 39.5 m-85 -112.07 102.11 10.34 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.895 0.331 . . . . 0.0 111.895 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -91.68 122.08 33.91 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.489 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.427 ' HE3' ' CD2' ' A' ' 417' ' ' TYR . 0.1 OUTLIER -120.24 136.33 54.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.99 0.424 . . . . 0.0 111.596 179.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.482 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 0.5 OUTLIER -85.36 138.42 32.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.473 ' O ' HG23 ' A' ' 436' ' ' THR . 4.6 p -117.26 152.02 35.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.815 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.652 HG21 ' NE2' ' A' ' 465' ' ' HIS . 0.0 OUTLIER -175.75 139.18 0.55 Allowed Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.475 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.72 84.03 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.315 2.01 . . . . 0.0 111.889 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 110.31 0.0 29.62 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.8 -179.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 3.2 t -134.23 150.15 51.02 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.17 0.51 . . . . 0.0 111.624 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -158.73 104.54 0.25 Allowed Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.971 179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 460' ' ' GLU . 4.3 t -118.87 154.44 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . . . . . . . . . 4.6 mtm-85 -115.41 149.21 38.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.188 0.518 . . . . 0.0 111.929 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 459' ' ' TYR . 5.3 tttt -136.16 139.78 43.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.568 179.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 35.4 m80 -111.82 144.79 40.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.02 0.438 . . . . 0.0 111.38 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.411 HG13 ' CG1' ' A' ' 455' ' ' VAL . 21.7 t -134.18 121.54 38.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.51 179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.556 ' HB2' HG22 ' A' ' 456' ' ' VAL . 7.8 mp0 -134.6 158.02 45.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.985 0.422 . . . . 0.0 111.542 -179.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.26 153.31 22.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.343 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -85.37 127.01 34.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.249 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.689 ' HB2' ' CG ' ' A' ' 425' ' ' ASN . . . -45.04 -48.89 11.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.881 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.11 32.82 1.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.579 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -179.45 92.3 0.2 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.949 179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -67.06 -14.95 45.36 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.471 2.114 . . . . 0.0 112.026 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.2 -18.8 26.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.432 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -87.9 117.97 27.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 110.83 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.411 ' CG1' HG13 ' A' ' 445' ' ' VAL . 30.3 t -113.99 143.53 23.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.669 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.556 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -106.85 143.3 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.857 179.226 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.21 121.27 23.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.062 0.458 . . . . 0.0 112.03 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 1.1 m -121.36 130.66 53.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 443' ' ' LYS . 75.6 m-85 -109.97 129.32 55.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.905 0.383 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.431 ' O ' HG13 ' A' ' 441' ' ' VAL . 0.4 OUTLIER -114.98 106.59 14.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.687 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 90.55 145.0 12.78 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.743 -0.742 . . . . 0.0 113.271 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 463' ' ' HIS . 13.4 tttp -89.35 168.43 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.405 ' N ' ' HG2' ' A' ' 462' ' ' LYS . 43.7 m-70 -96.75 143.81 27.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.74 0.305 . . . . 0.0 110.472 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.06 42.18 1.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.652 ' NE2' HG21 ' A' ' 436' ' ' THR . 28.5 p80 -154.53 54.41 0.68 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.454 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.672 ' O ' HD22 ' A' ' 467' ' ' LEU . 1.9 m-20 14.03 -85.51 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.294 -0.867 . . . . 0.0 112.148 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.672 HD22 ' O ' ' A' ' 466' ' ' ASP . 0.7 OUTLIER -141.02 119.26 8.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.537 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.545 ' HD2' HD13 ' A' ' 467' ' ' LEU . 84.1 Cg_exo -45.22 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.6 2.2 . . . . 0.0 112.413 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.86 -179.871 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.706 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.626 0 C3'-C2'-C1' 104.878 1.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.706 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 101.775 -0.661 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.509 " H2'" ' H71' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.132 1.737 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.509 ' H71' " H2'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C1'-O4'-C4' 110.406 0.504 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.506 ' H71' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 104.502 1.302 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.582 0.63 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.472 ' O2 ' ' N2 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.546 0.604 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.515 ' C5 ' ' N6 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 105.162 1.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.515 ' N6 ' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C4'-C3'-O3' 111.493 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 0.193 0 N19-C1'-C2' 115.47 0.794 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.638 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 104.839 1.528 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.638 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.531 0.594 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.428 ' C7 ' ' CE2' ' A' ' 431' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 105.453 1.967 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.582 ' H6 ' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 106.891 0.719 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.463 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C5'-C4'-O4' 108.8 -0.375 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.023 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.595 0.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 101.961 -0.528 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.445 HD21 HG11 ' A' ' 445' ' ' VAL . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.728 0.299 . . . . 0.0 111.239 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 1.5 mt -75.07 87.38 2.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -92.99 142.1 27.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.766 179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . 0.575 ' O ' HD11 ' A' ' 467' ' ' LEU . 25.7 t0 -93.75 21.14 6.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 86.45 32.23 16.81 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.335 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -110.29 179.46 4.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.803 0.335 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.38 116.9 31.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.65 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' N ' ' A' ' 434' ' ' CYS . 38.9 m95 -119.4 137.74 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.22 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -105.04 124.29 49.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.759 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 6.4 ttpp -70.46 133.04 46.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.169 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.522 ' CD1' ' O ' ' A' ' 431' ' ' TYR . 16.6 p90 -159.61 131.26 6.2 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.581 0.705 . . . . 0.0 112.547 179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 82.09 170.22 44.43 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 114.665 -1.152 . . . . 0.0 113.296 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.38 144.32 1.52 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.616 0.246 . . . . 0.0 110.409 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -166.19 152.03 8.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.099 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 10.5 p -111.94 149.42 14.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.502 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -120.12 143.59 31.43 Favored 'Isoleucine or valine' 0 C--O 1.245 0.849 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.134 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.46 133.56 39.3 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 124.387 1.054 . . . . 0.0 110.605 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . 0.446 ' H ' ' HD3' ' A' ' 426' ' ' PRO . . . 106.18 -11.06 44.02 Favored Glycine 0 C--N 1.322 -0.221 0 N-CA-C 108.509 -1.836 . . . . 0.0 108.509 -175.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.561 ' N ' ' CD ' ' A' ' 426' ' ' PRO . 16.7 t30 -155.44 50.82 0.53 Allowed Pre-proline 0 N--CA 1.446 -0.648 0 N-CA-C 106.176 -1.787 . . . . 0.0 106.176 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.658 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 26.9 Cg_exo -31.88 78.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 0.992 0 C-N-CA 124.592 3.528 . . . . 0.0 114.04 -178.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.658 ' CD1' ' O ' ' A' ' 426' ' ' PRO . 53.6 m-85 -156.72 137.46 9.19 Favored Pre-proline 0 C--N 1.327 -0.386 0 C-N-CA 119.689 -0.804 . . . . 0.0 111.837 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.08 129.69 5.38 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.947 2.431 . . . . 0.0 112.24 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.429 ' HB3' ' HG2' ' A' ' 446' ' ' GLU . 1.4 ptp180 -99.81 169.39 9.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.725 -179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 5.3 m -142.74 149.02 38.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.085 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.522 ' O ' ' CD1' ' A' ' 417' ' ' TYR . 3.8 m-85 -111.54 107.7 16.96 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -101.52 116.75 33.47 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.381 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 417' ' ' TYR . 6.1 ptmt -112.13 119.29 37.92 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.961 0.41 . . . . 0.0 111.551 -179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.476 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 5.6 t -68.75 121.48 16.58 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 46.5 p -106.43 161.91 14.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.742 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.668 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.1 OUTLIER -175.65 161.52 2.1 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.709 -0.848 . . . . 0.0 108.709 178.675 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.668 ' HD2' HG22 ' A' ' 436' ' ' THR . 46.4 Cg_exo -49.94 -49.74 15.24 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 121.255 1.303 . . . . 0.0 111.556 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -122.27 28.54 5.77 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.987 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.481 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 6.5 t -142.31 143.84 32.98 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.832 0.825 . . . . 0.0 112.348 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -148.01 109.12 0.45 Allowed Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 114.023 -1.444 . . . . 0.0 111.983 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 24.4 t -128.53 158.16 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.633 0.254 . . . . 0.0 110.693 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 442' ' ' ARG . 0.3 OUTLIER -117.74 144.51 45.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.193 0.52 . . . . 0.0 111.636 -179.42 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 459' ' ' TYR . 32.6 ttpt -135.75 138.92 43.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.734 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -111.75 144.28 41.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 111.089 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.445 HG11 HD21 ' A' ' 407' ' ' LEU . 21.2 t -130.83 120.84 48.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.1 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.437 ' CB ' HG22 ' A' ' 456' ' ' VAL . 0.0 OUTLIER -139.32 157.28 46.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 111.22 -178.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.494 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 9.9 mpt_? -99.76 159.97 14.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.161 179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -98.94 124.42 43.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.005 0.431 . . . . 0.0 111.128 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.426 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.02 -51.48 5.67 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.651 -179.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.05 -25.31 27.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.372 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.84 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 17.2 t0 -125.53 92.42 46.78 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.272 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -73.43 -10.86 24.28 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.446 2.097 . . . . 0.0 112.713 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.96 -18.42 17.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.443 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -60.41 -64.32 0.99 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.88 0.371 . . . . 0.0 111.412 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 37.8 t 70.89 129.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.165 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.437 HG22 ' CB ' ' A' ' 446' ' ' GLU . 2.4 m -104.86 141.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.19 113.54 13.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.893 0.378 . . . . 0.0 111.227 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.82 127.29 54.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 443' ' ' LYS . 44.4 m-85 -100.79 113.92 27.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.072 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -109.09 103.62 12.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.29 145.97 12.57 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.538 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -93.91 166.19 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.783 0.325 . . . . 0.0 110.992 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -110.8 129.83 55.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -102.21 47.51 0.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . . . . . . . . . 16.8 p80 -153.06 151.29 30.06 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -70.99 173.81 7.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.324 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.575 HD11 ' O ' ' A' ' 410' ' ' ASP . 0.3 OUTLIER -67.7 111.14 6.71 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.886 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -61.52 80.86 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.384 2.056 . . . . 0.0 112.148 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.155 -0.926 . . . . 0.0 111.074 179.939 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.446 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.435 -0.284 0 O5'-C5'-C4' 111.055 0.611 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.478 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 105.36 1.9 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.478 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.458 ' C6 ' H2'' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.463 1.239 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.415 ' C6 ' " H2'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.4 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 106.879 0.708 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.505 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.724 0.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.505 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C1'-O4'-C4' 110.566 0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.471 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 N19-C1'-C2' 115.239 0.649 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.443 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-O3' 111.326 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.778 H2'' " O5'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.53 0.635 0 C3'-C2'-C1' 105.196 1.783 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.781 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C4'-C3'-C2' 103.943 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.781 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 103.597 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.484 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 105.125 1.732 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.798 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C3'-C2'-C1' 105.24 1.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.798 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.62 -0.58 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.537 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.026 0.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.537 ' C6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 106.705 0.55 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.113 -0.419 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 106.621 0.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.672 HD23 ' CE1' ' A' ' 432' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 121.053 0.454 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.32 -2.94 13.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.79 179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 4.4 t0 67.75 37.3 3.27 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.981 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -60.41 -19.59 56.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.706 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 117.16 4.44 16.17 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.657 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.537 ' HE1' HD22 ' A' ' 467' ' ' LEU . 19.7 m-85 -114.26 -175.33 2.66 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.864 0.364 . . . . 0.0 111.095 -179.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 18.4 mtp180 -115.49 119.78 37.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.498 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 62.6 m95 -118.86 140.02 50.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.101 0.477 . . . . 0.0 111.546 -179.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -108.36 107.83 18.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.236 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.438 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 0.1 OUTLIER -60.33 142.7 54.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.208 179.459 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.511 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 15.6 p90 -168.19 138.1 2.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 68.29 75.15 0.53 Allowed Glycine 0 N--CA 1.45 -0.4 0 CA-C-N 114.219 -1.355 . . . . 0.0 113.979 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.49 122.57 25.4 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.202 0.501 . . . . 0.0 109.76 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -142.87 147.96 36.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.963 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.4 p -95.34 149.56 4.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 8.6 m -126.04 140.17 49.39 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.691 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.57 ' C ' ' H ' ' A' ' 425' ' ' ASN . 1.0 OUTLIER -78.67 179.74 6.97 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.41 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.83 -13.05 0.49 Allowed Glycine 0 CA--C 1.523 0.557 0 C-N-CA 120.187 -1.006 . . . . 0.0 111.689 -178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.625 ' O ' ' N ' ' A' ' 427' ' ' TYR . 4.8 t30 -157.87 56.69 1.1 Allowed Pre-proline 0 N--CA 1.449 -0.477 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.566 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 39.2 Cg_exo -28.19 71.7 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 124.792 3.661 . . . . 0.0 114.551 -178.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.625 ' N ' ' O ' ' A' ' 425' ' ' ASN . 40.6 m-85 -151.59 156.68 34.72 Favored Pre-proline 0 C--N 1.327 -0.404 0 C-N-CA 120.44 -0.504 . . . . 0.0 111.759 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.35 125.21 3.88 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.797 2.331 . . . . 0.0 112.415 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 430' ' ' SER . 5.2 ttm180 -94.93 154.73 17.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.556 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 429' ' ' ARG . 7.4 m -137.18 146.3 44.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.771 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.511 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 95.0 m-85 -110.3 105.83 15.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.947 0.403 . . . . 0.0 110.809 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.672 ' CE1' HD23 ' A' ' 407' ' ' LEU . 82.7 m-85 -101.37 121.52 42.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.716 -179.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.414 ' HD2' ' CE2' ' A' ' 417' ' ' TYR . 49.7 mttt -112.87 116.61 30.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.864 0.364 . . . . 0.0 111.711 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.464 ' N ' ' CE3' ' A' ' 414' ' ' TRP . 11.5 t -75.86 115.44 15.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.144 179.289 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 29.4 p -96.35 168.73 10.39 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.938 0.399 . . . . 0.0 110.831 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.566 HG22 ' HD2' ' A' ' 437' ' ' PRO . 0.0 OUTLIER 179.64 154.61 0.64 Allowed Pre-proline 0 C--N 1.325 -0.473 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 178.419 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.566 ' HD2' HG22 ' A' ' 436' ' ' THR . 72.8 Cg_exo -41.83 -47.83 6.2 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 121.738 1.625 . . . . 0.0 112.193 -179.004 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . . . . . . . . . . . -127.14 31.36 3.88 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.69 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.477 ' HB3' ' OG1' ' A' ' 436' ' ' THR . 1.7 t -144.69 152.84 41.02 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.624 0.726 . . . . 0.0 112.58 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 434' ' ' CYS . . . -160.48 113.02 0.55 Allowed Glycine 0 C--N 1.334 0.435 0 CA-C-N 114.055 -1.43 . . . . 0.0 112.134 179.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . . . . . . . . . 6.3 t -127.0 148.2 31.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.751 0.31 . . . . 0.0 110.924 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.438 ' HB2' ' HB2' ' A' ' 460' ' ' GLU . 50.3 mtt180 -103.92 140.68 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.992 0.425 . . . . 0.0 110.649 179.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.606 ' HZ1' ' N ' ' A' ' 407' ' ' LEU . 12.3 ttpt -134.1 134.52 42.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.661 -179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 46.0 m170 -111.8 138.34 48.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.049 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 46.6 t -127.65 121.56 57.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.296 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.421 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.9 OUTLIER -134.09 150.47 51.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.576 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.458 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -99.24 115.96 30.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.929 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.871 ' HB3' ' O ' ' A' ' 451' ' ' ASP . . . -48.02 117.22 1.81 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.134 0.492 . . . . 0.0 111.88 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.472 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -43.0 -52.03 5.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.561 -179.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -76.64 -31.9 57.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 111.154 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.871 ' O ' ' HB3' ' A' ' 448' ' ' ALA . 6.8 t0 -127.09 93.09 42.51 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.043 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.48 -6.39 19.07 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.423 2.082 . . . . 0.0 112.747 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 -16.39 20.33 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.319 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.403 ' O ' ' HB ' ' A' ' 455' ' ' VAL . . . -65.36 -67.4 0.44 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.937 0.399 . . . . 0.0 111.259 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 454' ' ' ALA . 17.7 t 75.63 129.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.024 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.1 m -106.27 142.37 19.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.025 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.22 119.84 21.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.464 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.57 129.47 56.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 111.598 -179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -100.2 113.04 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.535 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . 0.438 ' HB2' ' HB2' ' A' ' 442' ' ' ARG . 0.6 OUTLIER -96.52 97.36 9.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.174 179.271 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 93.85 156.65 32.6 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.253 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 26.9 mmtm -92.82 166.81 12.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.155 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -104.98 138.2 41.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.736 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -105.44 50.02 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.262 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.509 ' O ' ' C ' ' A' ' 466' ' ' ASP . 25.6 p80 -158.84 53.71 0.41 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.961 0.41 . . . . 0.0 110.603 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 465' ' ' HIS . 0.8 OUTLIER 13.96 -87.51 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.23 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.684 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -150.49 119.27 3.61 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.412 179.543 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.684 ' HD2' HD13 ' A' ' 467' ' ' LEU . 71.8 Cg_endo -88.71 87.08 0.5 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.83 2.353 . . . . 0.0 112.615 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.135 -0.936 . . . . 0.0 111.064 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.461 H2'' ' C6 ' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.434 -0.372 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.495 " H2'" ' H71' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C3'-C2'-C1' 105.219 1.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.495 ' H71' " H2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.811 0.646 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.464 ' H73' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 105.092 1.709 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.461 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.461 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 106.721 0.565 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.44 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.24 0.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.561 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.86 0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.561 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C4'-C3'-C2' 103.924 0.724 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C4'-C3'-O3' 111.286 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.648 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.518 -0.248 0 O5'-C5'-C4' 111.096 0.64 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.648 ' N7 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C3'-C2'-C1' 105.516 2.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.526 ' C8 ' " C2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-C1' 102.075 -0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 105.407 1.934 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.815 H2'' " O5'" ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-C1' 105.822 2.23 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.815 " O5'" H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.229 -0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.536 ' N7 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 107.099 0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.536 ' N6 ' ' N7 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.579 0.628 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.449 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 C3'-C2'-C1' 102.064 -0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.449 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 O4'-C1'-C2' 106.93 0.755 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.754 HD13 ' N ' ' A' ' 408' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.918 0.389 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.754 ' N ' HD13 ' A' ' 407' ' ' LEU . 0.0 OUTLIER -147.92 164.71 32.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.488 ' C ' HD22 ' A' ' 408' ' ' LEU . 4.3 t0 -60.22 109.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.859 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -100.51 5.68 44.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.285 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 128.22 -15.55 6.12 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.635 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -125.48 154.96 41.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.77 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -86.3 136.03 33.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.412 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.493 ' HB3' ' HB3' ' A' ' 432' ' ' TYR . 51.2 m95 -134.18 147.86 50.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.231 -179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.507 ' HG3' ' H71' ' B' ' 5' ' ' ' DT' . 17.6 ttm180 -108.1 115.91 31.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.604 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . 0.431 ' HB2' ' CE1' ' A' ' 432' ' ' TYR . 2.3 tppp? -68.0 135.14 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.101 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 4.4 p90 -163.58 133.62 4.27 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 114.166 1.173 . . . . 0.0 114.166 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 65.03 78.55 0.21 Allowed Glycine 0 C--N 1.332 0.332 0 CA-C-N 114.321 -1.309 . . . . 0.0 114.854 177.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.44 114.52 16.35 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 117.503 0.652 . . . . 0.0 109.766 178.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 421' ' ' VAL . 8.3 tttt -125.28 147.34 49.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.093 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.455 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.3 p -99.78 143.58 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.875 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.06 143.02 41.01 Favored 'Isoleucine or valine' 0 C--O 1.242 0.685 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.657 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.0 OUTLIER -80.63 179.84 7.57 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.265 179.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 68.84 -17.21 0.53 Allowed Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 111.526 -178.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.698 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 7.5 t30 -150.82 55.62 1.79 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 N-CA-C 107.845 -1.168 . . . . 0.0 107.845 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.603 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 21.1 Cg_exo -26.21 69.99 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 124.826 3.684 . . . . 0.0 113.992 -178.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.676 ' N ' ' O ' ' A' ' 425' ' ' ASN . 57.3 m-85 -156.42 147.68 16.73 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 112.403 0.519 . . . . 0.0 112.403 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.455 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 86.8 Cg_endo -82.55 130.54 6.09 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.885 2.39 . . . . 0.0 111.559 179.172 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -99.63 167.07 10.81 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.922 0.391 . . . . 0.0 110.728 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 3.3 m -137.44 147.46 45.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.074 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.453 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 1.8 m-85 -107.96 97.95 7.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.071 0.462 . . . . 0.0 110.501 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.493 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 24.8 m-85 -97.12 120.76 38.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -114.25 116.71 29.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.01 0.433 . . . . 0.0 111.545 -179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.6 t -62.91 139.97 58.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.633 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 36.2 p -124.1 144.81 49.66 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.611 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.694 HG21 ' CG ' ' A' ' 465' ' ' HIS . 2.4 m -169.74 137.45 1.46 Allowed Pre-proline 0 C--N 1.33 -0.249 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 179.369 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -49.61 85.79 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.353 2.036 . . . . 0.0 112.696 -179.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 115.11 -1.01 22.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.419 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 436' ' ' THR . 0.1 OUTLIER -137.56 151.25 48.18 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.385 0.612 . . . . 0.0 112.088 -179.577 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -150.29 107.21 0.34 Allowed Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 114.85 -1.068 . . . . 0.0 112.136 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.475 HG22 ' C ' ' A' ' 461' ' ' GLY . 17.8 t -124.45 157.11 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.54 0.21 . . . . 0.0 110.498 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 11.3 mtt180 -130.31 158.83 38.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 111.022 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 458' ' ' THR . 4.6 pttt -153.76 157.81 39.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.58 179.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.425 ' O ' ' HA ' ' A' ' 457' ' ' THR . 45.2 m80 -112.54 142.83 44.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.553 HG11 ' HB2' ' A' ' 407' ' ' LEU . 45.7 t -127.91 121.3 55.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.222 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.592 ' HB2' HG22 ' A' ' 456' ' ' VAL . 2.6 mp0 -136.79 152.91 50.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.095 -179.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.47 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 0.0 OUTLIER -101.85 117.52 35.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.005 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -37.96 132.13 1.0 Allowed 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.698 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -64.06 -13.01 44.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.963 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.34 21.54 11.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.622 0.249 . . . . 0.0 111.329 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 452' ' ' PRO . 15.1 t0 -176.24 98.3 0.25 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.713 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 37.9 Cg_endo -66.18 -13.12 38.47 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.528 2.152 . . . . 0.0 112.588 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? -89.67 -17.88 27.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.062 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -96.34 135.32 38.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.698 0.285 . . . . 0.0 110.675 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . 0.423 ' CG1' HG13 ' A' ' 445' ' ' VAL . 20.0 t -121.85 145.22 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.071 0.462 . . . . 0.0 111.679 -179.349 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.592 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.0 OUTLIER -104.53 139.49 25.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.805 179.111 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.2 OUTLIER -133.37 124.91 28.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.397 0.518 . . . . 0.0 112.397 179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -115.04 127.08 55.42 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.525 178.466 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -101.56 122.39 43.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.974 0.416 . . . . 0.0 111.884 -178.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -120.36 105.51 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.531 179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . 0.475 ' C ' HG22 ' A' ' 441' ' ' VAL . . . 115.97 137.51 6.15 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.717 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 2.4 tmtt? -86.97 148.02 25.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -87.73 123.69 32.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.597 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -104.69 53.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.556 -179.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.694 ' CG ' HG21 ' A' ' 436' ' ' THR . 9.3 p80 -154.35 -122.71 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 110.216 -0.291 . . . . 0.0 110.216 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -149.9 168.24 24.34 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . . . . . . . . . 4.6 tt -78.06 129.43 75.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 C-N-CA 119.964 -0.694 . . . . 0.0 111.213 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.14 76.49 0.12 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.78 2.32 . . . . 0.0 112.351 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.027 179.963 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.437 -0.196 0 O5'-C5'-C4' 111.111 0.651 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 C4'-C3'-C2' 104.65 1.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.539 ' C5 ' ' H73' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 104.141 0.941 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.539 ' H73' ' C5 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C3'-C2'-C1' 105.359 1.899 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.507 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.131 -0.406 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.448 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.43 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.786 -0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.488 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 107.077 0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.935 -0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C4'-C3'-C2' 102.534 -0.666 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.364 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.499 H2'' " O5'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 105.236 1.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.499 " O5'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.29 0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.45 H2'' " O5'" ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-C1' 104.991 1.636 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.45 " O5'" H2'' ' C' ' 24' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C1'-O4'-C4' 110.374 0.481 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.433 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 O4'-C1'-C2' 106.733 0.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.404 ' C5 ' ' N6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.009 0.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.404 ' N6 ' ' C5 ' ' C' ' 27' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.464 0.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.686 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.776 0.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.441 HD11 ' HE1' ' A' ' 432' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.852 0.358 . . . . 0.0 111.248 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 11.1 tp -128.88 104.9 7.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -93.83 105.91 17.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -89.24 3.71 51.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.293 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 139.74 -13.95 3.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.672 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.59 ' CE1' HD22 ' A' ' 467' ' ' LEU . 19.6 m-85 -116.54 -171.06 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.69 0.281 . . . . 0.0 110.593 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -122.04 129.85 52.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.409 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 62.1 m95 -122.36 140.76 52.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . 0.425 ' HE ' HG21 ' A' ' 435' ' ' THR . 7.6 mtm180 -121.07 118.44 29.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.398 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.88 151.92 20.55 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.587 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.509 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 1.8 p90 -175.06 140.99 0.55 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 73.47 73.19 0.91 Allowed Glycine 0 C--N 1.333 0.397 0 CA-C-N 114.379 -1.282 . . . . 0.0 113.933 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.68 125.07 28.62 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 117.08 0.44 . . . . 0.0 110.756 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 429' ' ' ARG . 0.3 OUTLIER -149.65 160.15 43.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.3 -179.657 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 8.2 p -115.46 141.34 32.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.635 179.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . . . . . . . . . 4.6 m -126.5 144.09 37.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.604 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -81.01 -175.65 5.51 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.207 179.285 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.07 -15.62 0.17 Allowed Glycine 0 CA--C 1.524 0.605 0 C-N-CA 120.424 -0.893 . . . . 0.0 112.117 -178.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.762 ' OD1' ' HB2' ' A' ' 449' ' ' ALA . 13.4 t30 -156.37 57.39 1.44 Allowed Pre-proline 0 N--CA 1.45 -0.443 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.571 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 18.7 Cg_exo -27.56 70.78 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 124.815 3.676 . . . . 0.0 114.404 -178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.657 ' N ' ' O ' ' A' ' 425' ' ' ASN . 54.7 m-85 -154.86 148.56 18.74 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-O 120.815 0.34 . . . . 0.0 111.254 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 421' ' ' VAL . 92.2 Cg_endo -80.19 125.46 5.85 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.645 2.23 . . . . 0.0 112.386 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 420' ' ' LYS . 0.0 OUTLIER -79.59 138.56 37.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.423 179.393 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.59 108.44 10.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.509 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 36.3 m-85 -83.48 102.31 12.01 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.915 0.388 . . . . 0.0 110.796 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.441 ' HE1' HD11 ' A' ' 407' ' ' LEU . 10.0 m-85 -91.32 124.26 35.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.821 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.473 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 17.2 ptmt -117.42 139.52 50.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.346 -179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.7 t -85.15 137.1 33.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.728 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . 0.425 HG21 ' HE ' ' A' ' 415' ' ' ARG . 6.0 p -117.74 147.57 42.84 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.593 HG21 ' CG ' ' A' ' 465' ' ' HIS . 0.9 OUTLIER -170.59 137.56 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.671 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.96 84.24 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.404 2.069 . . . . 0.0 111.844 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 118.14 -5.73 15.45 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.786 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.95 154.6 51.64 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.412 0.625 . . . . 0.0 111.95 -179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -156.8 104.45 0.25 Allowed Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 114.944 -1.026 . . . . 0.0 112.022 179.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.406 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 6.7 t -119.31 156.38 21.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.473 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 4.0 mtt180 -128.64 159.41 35.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.007 0.432 . . . . 0.0 111.268 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.441 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 27.6 pttt -151.04 157.69 43.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.87 179.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' A' ' 457' ' ' THR . 80.1 m80 -112.34 141.88 45.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.834 0.35 . . . . 0.0 111.28 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 29.2 t -126.55 121.04 57.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -137.34 154.25 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.147 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.55 168.84 9.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.507 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -99.75 122.48 42.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.257 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.762 ' HB2' ' OD1' ' A' ' 425' ' ' ASN . . . -43.29 -51.15 6.41 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.833 -179.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -89.55 19.16 4.74 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.515 ' HB3' ' HB3' ' A' ' 448' ' ' ALA . 2.8 t0 -163.17 86.85 1.31 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 110.652 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -62.65 -14.12 38.06 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.79 2.327 . . . . 0.0 112.762 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.8 -8.09 29.17 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.461 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.43 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -96.41 126.36 41.56 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.743 0.306 . . . . 0.0 110.981 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.3 t -120.22 146.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 111.674 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . . . . . . . . . 3.8 m -111.38 143.17 21.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.063 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 0.6 OUTLIER -132.98 126.83 32.84 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 0.2 OUTLIER -118.01 127.18 53.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.208 179.095 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.441 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 4.1 m-85 -102.13 123.27 45.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.927 0.394 . . . . 0.0 111.507 -179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -122.55 108.98 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 128.8 -161.02 22.44 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.68 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.53 143.23 20.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.793 0.33 . . . . 0.0 110.717 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . . . . . . . . . 33.1 m-70 -98.62 124.58 43.49 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.082 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -105.4 45.13 0.98 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.527 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.614 ' O ' ' O ' ' A' ' 466' ' ' ASP . 35.2 p80 -151.54 47.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.614 ' O ' ' O ' ' A' ' 465' ' ' HIS . 0.7 OUTLIER 14.92 -142.03 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 115.163 -0.926 . . . . 0.0 112.179 179.406 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.698 HD13 ' HD2' ' A' ' 468' ' ' PRO . 0.2 OUTLIER -94.04 124.15 57.06 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 120.681 0.277 . . . . 0.0 110.508 179.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . 0.698 ' HD2' HD13 ' A' ' 467' ' ' LEU . 65.2 Cg_endo -76.51 98.96 1.25 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.536 2.158 . . . . 0.0 112.793 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.955 179.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.647 H2'' " O4'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.53 0.652 0 C3'-C2'-C1' 105.029 1.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.733 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 104.965 1.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.733 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.441 0.529 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.733 ' H72' ' C6 ' ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C3'-C2'-C1' 105.353 1.895 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.669 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.187 0.348 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.456 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 106.106 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.517 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.99 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.517 ' OP2' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.631 0.665 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.466 ' O2 ' ' N2 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.408 -0.94 0 C4'-C3'-C2' 104.855 1.655 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.461 ' N6 ' ' C4 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.171 0 C4'-C3'-O3' 112.131 0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.436 -0.271 0 N19-C1'-C2' 115.435 0.772 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.808 H2'' " O4'" ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 104.824 1.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.808 " O4'" H2'' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 105.01 1.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 105.302 1.859 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.446 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.446 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 106.991 0.81 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.652 0.501 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 106.058 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C4'-C3'-O3' 111.194 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 121.016 0.436 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.76 93.38 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.628 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -99.01 105.34 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -108.56 28.97 7.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.332 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . 0.462 ' O ' HD22 ' A' ' 467' ' ' LEU . . . 128.14 64.23 0.13 Allowed Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.57 -179.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.442 ' CD2' ' O ' ' A' ' 411' ' ' GLY . 1.6 m-85 176.48 158.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.652 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . 0.401 ' HD3' ' OP1' ' B' ' 4' ' ' ' DC' . 1.4 mmp_? -113.42 122.43 47.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.913 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.515 ' CZ3' ' HB2' ' A' ' 434' ' ' CYS . 11.4 m95 -124.37 139.58 53.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.009 0.433 . . . . 0.0 112.131 -178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -102.88 122.04 43.74 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -69.4 137.46 52.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.133 179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.425 ' O ' ' HB2' ' A' ' 431' ' ' TYR . 2.2 p90 -165.21 134.92 3.58 Favored 'General case' 0 C--O 1.231 0.093 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . 0.402 ' HA2' ' O6 ' ' B' ' 8' ' ' ' DG' . . . 79.04 72.64 1.17 Allowed Glycine 0 C--N 1.331 0.301 0 CA-C-N 115.199 -0.909 . . . . 0.0 115.087 177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -74.22 124.78 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 117.326 0.563 . . . . 0.0 109.553 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 428' ' ' PRO . 6.9 mtpt -154.57 157.94 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.504 -179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . 0.476 ' HA ' ' HA ' ' A' ' 428' ' ' PRO . 9.1 p -114.36 144.11 22.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.662 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.443 HG13 ' HD2' ' A' ' 429' ' ' ARG . 4.9 m -123.32 149.64 27.22 Favored 'Isoleucine or valine' 0 C--O 1.243 0.719 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.458 -179.674 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.575 ' C ' ' H ' ' A' ' 425' ' ' ASN . 0.1 OUTLIER -77.88 179.94 6.41 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.358 179.597 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 66.14 -11.14 0.52 Allowed Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.399 -0.905 . . . . 0.0 111.722 -178.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.698 ' O ' ' N ' ' A' ' 427' ' ' TYR . 7.2 t30 -160.25 52.15 0.43 Allowed Pre-proline 0 N--CA 1.449 -0.523 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.545 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 34.9 Cg_exo -27.38 69.32 0.0 OUTLIER 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 124.727 3.618 . . . . 0.0 114.089 -178.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.698 ' N ' ' O ' ' A' ' 425' ' ' ASN . 44.6 m-85 -152.47 149.55 22.97 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.163 -179.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . 0.481 ' HA ' ' O ' ' A' ' 420' ' ' LYS . 88.0 Cg_endo -82.66 124.61 4.08 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.605 2.203 . . . . 0.0 112.076 179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.443 ' HD2' HG13 ' A' ' 422' ' ' VAL . 0.4 OUTLIER -94.96 164.3 12.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 -179.843 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -133.35 138.37 46.31 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.096 179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.425 ' HB2' ' O ' ' A' ' 417' ' ' TYR . 24.4 m-85 -103.11 101.18 11.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.118 0.485 . . . . 0.0 110.834 -179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . 0.485 ' HB3' ' HB3' ' A' ' 414' ' ' TRP . 16.1 m-85 -100.07 112.61 24.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.608 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -108.67 116.85 32.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.829 0.347 . . . . 0.0 111.48 -179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.515 ' HB2' ' CZ3' ' A' ' 414' ' ' TRP . 1.5 t -61.27 124.71 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.25 0.548 . . . . 0.0 111.004 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 64.2 p -108.05 149.29 28.62 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.291 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 438' ' ' GLY . 3.1 m -167.36 136.79 2.23 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -53.9 83.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.002 1.802 . . . . 0.0 111.254 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 116.59 5.96 15.55 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.424 -179.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -144.52 162.09 37.45 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.588 0.709 . . . . 0.0 112.617 -179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -159.45 115.48 0.66 Allowed Glycine 0 CA--C 1.521 0.433 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.576 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 2.3 t -130.52 161.8 39.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.488 ' HA ' ' HA ' ' A' ' 433' ' ' LYS . 0.2 OUTLIER -121.0 146.26 46.88 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.171 0.51 . . . . 0.0 112.045 -179.112 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 458' ' ' THR . 17.9 ttpt -139.69 142.19 36.92 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.828 179.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -112.25 144.07 42.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.079 0.466 . . . . 0.0 111.513 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . . . . . . . . . 18.2 t -132.13 121.6 46.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.722 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.468 ' HB2' HG22 ' A' ' 456' ' ' VAL . 0.2 OUTLIER -138.88 156.95 46.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.83 0.348 . . . . 0.0 111.494 -179.3 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.27 120.04 40.81 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.094 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -45.57 120.81 2.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.322 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.48 ' HA ' ' CE1' ' A' ' 427' ' ' TYR . . . -42.95 -46.88 5.58 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.89 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.54 -28.61 23.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.583 ' HB3' ' HB3' ' A' ' 454' ' ' ALA . 1.5 t0 -112.79 93.67 25.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.139 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -68.05 -13.6 38.64 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.556 2.171 . . . . 0.0 112.025 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -95.94 -15.52 22.31 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.28 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . 0.583 ' HB3' ' HB3' ' A' ' 451' ' ' ASP . . . -93.0 130.37 38.59 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.82 0.343 . . . . 0.0 110.869 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.61 140.5 36.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.539 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.468 HG22 ' HB2' ' A' ' 446' ' ' GLU . 1.8 m -100.71 142.74 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.379 179.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.55 113.9 13.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.995 0.426 . . . . 0.0 111.851 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 443' ' ' LYS . 3.1 m -118.47 134.18 55.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.354 179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -102.85 113.4 26.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 111.288 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -88.62 100.38 13.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 87.64 170.46 46.32 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.262 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.92 173.34 6.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.824 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.442 ' N ' ' CD2' ' A' ' 463' ' ' HIS . 0.3 OUTLIER -105.27 152.61 22.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.551 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -81.76 -5.5 58.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.611 179.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.403 ' NE2' HG21 ' A' ' 436' ' ' THR . 24.3 p80 -122.29 142.3 50.62 Favored 'General case' 0 N--CA 1.457 -0.088 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.367 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -50.55 -61.78 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.057 0.456 . . . . 0.0 111.02 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.462 HD22 ' O ' ' A' ' 411' ' ' GLY . 16.7 mt -161.3 159.57 23.93 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.467 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.24 82.33 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.481 2.12 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.313 -0.851 . . . . 0.0 111.004 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.434 -0.354 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.624 H2'' " O5'" ' B' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 105.425 1.946 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.624 " O5'" H2'' ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.513 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.431 1.21 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.513 " O5'" H2'' ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.443 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 106.853 0.685 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.485 H2'' ' C5 ' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 O4'-C1'-C2' 106.603 0.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.485 ' C5 ' H2'' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 C1'-O4'-C4' 110.715 0.725 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.481 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 N19-C1'-C2' 115.245 0.653 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.442 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.446 1.148 0 C4'-C3'-O3' 112.033 0.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.546 H2'' ' N7 ' ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.434 -0.375 0 O5'-C5'-C4' 110.815 0.439 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.79 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 104.015 0.815 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.79 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 103.905 0.705 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.507 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C3'-C2'-C1' 104.757 1.469 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.417 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.61 0.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.417 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O4'-C1'-C2' 107.001 0.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . 0.4 ' C5 ' ' C6 ' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.694 0 O4'-C1'-C2' 107.088 0.898 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . 0.411 H2'' ' OP2' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.401 0.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.411 ' OP2' H2'' ' C' ' 28' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 102.105 -0.425 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C1'-C2' 106.942 0.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 407' ' ' LEU . . . . . 0.669 HD13 ' N ' ' A' ' 407' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.722 0.296 . . . . 0.0 111.244 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 408' ' ' LEU . . . . . 0.402 HD23 ' OD1' ' A' ' 409' ' ' ASP . 0.1 OUTLIER -145.44 141.34 28.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 409' ' ' ASP . . . . . 0.402 ' OD1' HD23 ' A' ' 408' ' ' LEU . 0.7 OUTLIER -33.99 114.17 0.19 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.917 -179.595 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 410' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -95.02 23.31 5.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.26 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLY . . . . . . . . . . . . . . . 121.96 -20.49 8.1 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.572 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' TYR . . . . . 0.431 ' O ' ' CD1' ' A' ' 414' ' ' TRP . 21.7 m-85 -118.36 151.51 37.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.721 0.296 . . . . 0.0 110.616 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -82.06 123.19 28.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.942 0.401 . . . . 0.0 110.905 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' TRP . . . . . 0.476 ' CE3' ' HB2' ' A' ' 434' ' ' CYS . 55.6 m95 -122.72 140.85 52.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.656 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -121.81 113.75 20.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.99 146.98 10.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.798 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' TYR . . . . . 0.517 ' CD2' ' O ' ' A' ' 431' ' ' TYR . 0.6 OUTLIER -162.88 131.47 3.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.321 0.582 . . . . 0.0 111.923 179.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' GLY . . . . . . . . . . . . . . . 77.45 177.36 46.32 Favored Glycine 0 N--CA 1.451 -0.353 0 CA-C-N 115.132 -0.94 . . . . 0.0 112.564 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.18 105.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.874 0.369 . . . . 0.0 110.29 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.44 157.89 30.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' VAL . . . . . . . . . . . . . 9.0 p -115.38 142.34 28.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.417 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' VAL . . . . . 0.426 ' CG1' ' HD2' ' A' ' 429' ' ' ARG . 0.6 OUTLIER -127.54 146.11 33.81 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 CA-C-O 121.062 0.458 . . . . 0.0 112.147 -179.374 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' LYS . . . . . 0.562 ' C ' ' H ' ' A' ' 425' ' ' ASN . 4.9 mptt -81.93 -179.87 7.56 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.088 -0.96 . . . . 0.0 110.147 179.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLY . . . . . . . . . . . . . . . 65.94 -9.2 0.73 Allowed Glycine 0 CA--C 1.522 0.504 0 C-N-CA 120.292 -0.956 . . . . 0.0 111.594 -178.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' ASN . . . . . 0.74 ' HA ' ' HB2' ' A' ' 449' ' ' ALA . 8.4 t30 -160.38 52.11 0.42 Allowed Pre-proline 0 N--CA 1.451 -0.41 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' PRO . . . . . 0.568 ' O ' ' CD1' ' A' ' 427' ' ' TYR . 29.8 Cg_exo -26.93 71.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.947 0 C-N-CA 124.745 3.63 . . . . 0.0 114.073 -178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' TYR . . . . . 0.654 ' N ' ' O ' ' A' ' 425' ' ' ASN . 48.1 m-85 -154.02 144.9 16.14 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.965 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -83.16 128.45 4.95 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 122.933 2.422 . . . . 0.0 111.961 179.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ARG . . . . . 0.426 ' HD2' ' CG1' ' A' ' 422' ' ' VAL . 15.8 mtp180 -87.44 158.46 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.31 140.79 48.71 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.228 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' TYR . . . . . 0.517 ' O ' ' CD2' ' A' ' 417' ' ' TYR . 14.6 m-85 -110.59 101.04 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -96.69 124.92 40.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 442' ' ' ARG . 0.0 OUTLIER -118.31 136.97 53.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.604 -179.735 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' CYS . . . . . 0.476 ' HB2' ' CE3' ' A' ' 414' ' ' TRP . 2.5 t -89.18 133.23 34.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.094 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.73 150.36 31.66 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 179.018 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . 0.621 HG21 ' CD2' ' A' ' 465' ' ' HIS . 0.2 OUTLIER -170.06 139.37 1.54 Allowed Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 179.705 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' PRO . . . . . 0.494 ' HD2' HG22 ' A' ' 436' ' ' THR . 9.5 Cg_endo -53.0 82.83 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.43 2.087 . . . . 0.0 112.078 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 436' ' ' THR . . . 112.98 0.77 25.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.953 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.9 151.66 51.07 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.408 0.623 . . . . 0.0 111.815 -179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' GLY . . . . . . . . . . . . . . . -152.88 107.09 0.32 Allowed Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.031 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' VAL . . . . . 0.47 ' CG1' ' N ' ' A' ' 442' ' ' ARG . 25.1 t -126.53 160.46 34.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ARG . . . . . 0.47 ' N ' ' CG1' ' A' ' 441' ' ' VAL . 0.1 OUTLIER -138.07 162.86 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.099 0.476 . . . . 0.0 111.547 -179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' LYS . . . . . 0.436 ' HD2' ' CE1' ' A' ' 459' ' ' TYR . 18.7 pttt -149.14 157.92 43.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.55 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' A' ' 457' ' ' THR . 0.2 OUTLIER -111.9 147.4 35.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.97 0.414 . . . . 0.0 111.3 -179.079 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' VAL . . . . . 0.46 HG11 HD12 ' A' ' 407' ' ' LEU . 17.6 t -134.7 121.57 35.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.424 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLU . . . . . 0.428 ' HB2' ' CG2' ' A' ' 456' ' ' VAL . 0.0 OUTLIER -140.11 160.62 39.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.435 . . . . 0.0 111.409 -179.145 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' ARG . . . . . 0.462 ' HB2' ' CD2' ' A' ' 427' ' ' TYR . 6.6 mpt_? -101.73 157.85 16.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.741 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ALA . . . . . . . . . . . . . . . -94.69 128.36 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.698 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ALA . . . . . 0.74 ' HB2' ' HA ' ' A' ' 425' ' ' ASN . . . -68.1 -9.11 43.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.796 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 451' ' ' ASP . 1.4 p -119.81 20.36 12.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 450' ' ' THR . 58.2 t0 173.96 95.11 0.07 OUTLIER Pre-proline 0 C--N 1.333 -0.146 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.39 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 451' ' ' ASP . 26.4 Cg_endo -62.15 -17.7 58.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.407 2.072 . . . . 0.0 112.407 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -82.95 -18.63 39.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.305 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ALA . . . . . . . . . . . . . . . -93.73 123.14 36.86 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.04 140.91 32.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.316 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 446' ' ' GLU . 1.6 m -100.4 136.23 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.705 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 444' ' ' HIS . 1.6 m -133.02 122.23 23.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 111.774 179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.73 126.6 55.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.536 179.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' TYR . . . . . 0.436 ' CE1' ' HD2' ' A' ' 443' ' ' LYS . 43.0 m-85 -107.01 123.41 48.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.868 0.366 . . . . 0.0 111.412 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 121.08 22.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.597 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . 107.85 133.84 7.21 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -91.58 161.28 15.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.765 0.317 . . . . 0.0 110.993 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' HIS . . . . . 0.462 ' CE1' ' HB ' ' A' ' 441' ' ' VAL . 42.4 m-70 -110.99 132.75 53.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -108.52 51.93 0.73 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.683 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' HIS . . . . . 0.621 ' CD2' HG21 ' A' ' 436' ' ' THR . 34.2 p80 -159.64 152.53 21.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.218 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' ASP . . . . . 0.572 ' O ' ' HB3' ' A' ' 467' ' ' LEU . 0.7 OUTLIER -52.21 -71.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 179.35 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 467' ' ' LEU . 0.7 OUTLIER 163.53 161.31 0.06 OUTLIER Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.337 179.069 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -83.34 73.87 5.03 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.958 2.438 . . . . 0.0 112.032 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.036 -179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.661 H2'' " O5'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.528 0.499 0 C3'-C2'-C1' 105.298 1.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' DC' . . . . . 0.661 " O5'" H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.92 0.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' DT' . . . . . 0.494 ' H72' " C2'" ' B' ' 4' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.5 H2'' " O5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 105.416 1.94 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.502 H2'' ' C8 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.502 ' C8 ' H2'' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.479 0.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.428 H2'' ' OP2' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 106.124 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.486 H2'' ' C6 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C1'-O4'-C4' 110.839 0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.486 ' C6 ' H2'' ' B' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C4'-C3'-C2' 104.157 0.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.411 ' C8 ' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-O3' 111.456 0.525 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.516 -0.327 0 C3'-C2'-C1' 101.874 -0.59 . . . . 0.59 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DG' . . . . . 0.754 " H2'" ' C8 ' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C4'-C3'-C2' 103.978 0.778 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ' DG' . . . . . 0.754 ' C8 ' " H2'" ' C' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C4'-C3' 106.113 0.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ' DT' . . . . . 0.4 ' C6 ' H2'' ' C' ' 23' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C3'-C2'-C1' 104.807 1.505 . . . . 0.59 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ' DC' . . . . . 0.467 H2'' ' C8 ' ' C' ' 26' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ' DA' . . . . . 0.467 ' C8 ' H2'' ' C' ' 25' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 106.731 0.574 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.22 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.081 -0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ' DG' . . . . . 0.467 H2'' ' C8 ' ' C' ' 30' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.015 0.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ' DG' . . . . . 0.467 ' C8 ' H2'' ' C' ' 29' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 106.847 0.679 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_