data_1vfc_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 1vfc _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 ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.417 ' CE3' HG23 ' A' ' 487' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.417 HG23 ' CE3' ' A' ' 470' ' ' TRP . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.429 ' CE3' HG22 ' A' ' 487' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.429 HG22 ' CE3' ' A' ' 470' ' ' TRP . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.417 ' CE3' HG21 ' A' ' 487' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.417 HG21 ' CE3' ' A' ' 470' ' ' TRP . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 11.3 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.417 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.905 0.384 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.434 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.537 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.537 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 494' ' ' MET . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' MET . . . . . 0.419 ' N ' HG23 ' A' ' 493' ' ' THR . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.413 ' O ' HG11 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 455' ' ' SER . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . 0.418 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.418 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.45 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 4.5 m95 . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.443 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.443 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 487' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.424 HG23 ' CE3' ' A' ' 470' ' ' TRP . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.42 ' CE3' HG23 ' A' ' 487' ' ' ILE . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.42 HG23 ' CE3' ' A' ' 470' ' ' TRP . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.959 0.409 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.437 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 451' ' ' THR . 6.0 m0 . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' THR . . . . . 0.416 ' CB ' ' O ' ' A' ' 450' ' ' TRP . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.506 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.506 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . 0.405 ' CH2' ' HG3' ' A' ' 490' ' ' ARG . 8.3 m0 . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 2.1 m0 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.51 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 9.5 m0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.376 . . . . 0.0 111.238 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.089 0.471 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.423 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.549 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.453 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 487' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.491 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.416 HG21 ' CE3' ' A' ' 470' ' ' TRP . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.463 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . 0.431 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . 0.412 ' CE3' HG23 ' A' ' 487' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . 0.412 HG23 ' CE3' ' A' ' 470' ' ' TRP . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.448 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . 0.418 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.418 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.408 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' PRO . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.82 108.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 21.6 p -130.49 152.18 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.38 -77.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -28.06 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.68 109.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.3 pt -137.14 89.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 t -158.26 83.22 0.85 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.84 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -149.38 134.95 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.24 88.94 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.678 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -74.38 144.87 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 0.0 110.806 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -60.3 169.68 1.56 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.519 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.417 ' CE3' HG23 ' A' ' 487' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.519 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.417 HG23 ' CE3' ' A' ' 470' ' ' TRP . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.43 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C1'-C2' 106.742 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.452 ' C6 ' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.531 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.516 0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.436 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.621 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.436 ' H71' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.433 ' H71' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C5'-C4'-O4' 108.723 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.246 0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 110.318 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O5'-C5'-C4' 110.929 0.52 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.411 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.452 0.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.411 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.488 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.678 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.572 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.406 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.406 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 C5'-C4'-O4' 108.812 -0.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.297 0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.179 0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 30.44 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.97 112.97 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.1 t -161.49 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 10.2 t -127.43 23.27 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.81 144.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.79 -48.13 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.8 161.62 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 447' ' ' LYS . 11.8 ptpt -115.71 -142.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 446' ' ' LYS . 12.0 tptt -118.19 130.42 56.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.084 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -130.58 83.14 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.617 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -63.67 166.29 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.34 170.38 8.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.428 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.429 ' CE3' HG22 ' A' ' 487' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.428 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.442 HG12 ' H42' ' C' ' 22' ' ' ' DC' . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.429 HG22 ' CE3' ' A' ' 470' ' ' TRP . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.448 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.78 0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.448 ' H71' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.279 0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.528 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.1 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.431 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.405 0.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.461 ' C6 ' ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.461 ' H71' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.232 0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 102.187 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.163 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O5'-C5'-C4' 110.925 0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.275 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.401 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.439 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.617 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 106.688 0.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.308 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.442 ' H42' HG12 ' A' ' 485' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.422 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.244 0.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.393 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.53 -175.76 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.11 177.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.991 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -171.1 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.297 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.33 60.0 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 0.0 109.936 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.93 134.88 4.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.659 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 5.7 pt -115.67 88.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.15 32.01 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -38.57 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 447' ' ' LYS . 0.1 OUTLIER -108.46 82.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.15 82.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.43 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.636 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -50.69 163.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.472 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.15 169.83 17.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.316 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.415 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.469 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.417 ' CE3' HG21 ' A' ' 487' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.417 HG21 ' CE3' ' A' ' 470' ' ' TRP . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.436 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.602 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.476 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.499 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.499 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C1'-O4'-C4' 110.197 0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.743 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.007 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 106.566 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 C1'-O4'-C4' 110.367 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C1'-O4'-C4' 110.324 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.44 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.44 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.752 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.485 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.29 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.636 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.675 0.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.449 0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.301 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.44 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 106.551 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.44 ' H71' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.57 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.08 30.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 11.3 p -148.35 128.11 13.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.28 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 9.8 t -123.06 27.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.37 153.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.71 -31.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.6 m 62.56 84.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -78.85 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -134.72 -48.24 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -160.53 42.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.507 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -79.21 169.07 18.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.453 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 11.3 m0 -87.68 171.87 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.417 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.495 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.495 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.441 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.453 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.412 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C1'-O4'-C4' 110.502 0.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.446 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.538 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.21 0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.427 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.447 ' C6 ' ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.447 ' H71' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 102.191 -0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 102.152 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.542 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.949 0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 102.14 -0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.48 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.63 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.507 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.065 0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C1'-O4'-C4' 110.251 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.445 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 106.696 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.445 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.294 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C5'-C4'-O4' 108.806 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.05 59.07 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.53 126.59 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.83 -72.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.24 29.42 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.018 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.9 177.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 3.1 pt -82.75 86.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.38 88.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.699 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -111.18 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.188 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 158.85 32.83 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.15 82.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.208 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.65 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -81.71 167.22 19.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 0.0 111.336 -179.294 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.13 170.58 12.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.434 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.537 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.537 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 494' ' ' MET . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' MET . . . . . 0.419 ' N ' HG23 ' A' ' 493' ' ' THR . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 O4'-C1'-C2' 106.755 0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.492 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.252 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.52 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.52 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.429 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.429 ' H71' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.426 ' H71' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 106.508 0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.049 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.037 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O5'-C5'-C4' 110.932 0.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.423 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.423 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C5'-C4'-O4' 108.801 -0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.495 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.259 1.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.65 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.456 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.439 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.332 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.439 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 110.352 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 106.605 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.951 0.405 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.47 38.47 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.18 138.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -64.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 16.81 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.67 114.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.827 0.346 . . . . 0.0 111.064 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.2 pt -160.08 112.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.4 ' HA ' ' OP1' ' B' ' 11' ' ' ' DG' . 0.7 OUTLIER -138.46 90.33 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.38 98.98 5.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.81 102.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -87.4 86.75 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.526 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 23.6 mttt -80.09 162.37 24.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -72.87 169.36 16.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.413 ' O ' HG11 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . 0.413 HG11 ' O ' ' A' ' 455' ' ' SER . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . 0.418 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.418 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.45 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . 0.416 ' CB ' ' OP2' ' B' ' 3' ' ' ' DT' . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.439 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.5 H2'' ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C4'-C3' 106.258 0.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.546 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.226 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.539 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 102.169 -0.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.19 0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.449 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.652 0.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.451 ' C6 ' ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.198 0.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.451 ' H71' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.52 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.537 ' N1 ' ' C6 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 103.739 0.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.401 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.167 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 C1'-O4'-C4' 110.339 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.428 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.504 ' C2 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C5'-C4'-O4' 108.829 -0.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.537 ' C6 ' ' N1 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.424 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.526 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.884 0.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.433 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.395 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.433 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.48 127.02 43.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.76 130.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.5 -73.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 15.4 t -96.4 -5.82 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.3 157.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 28.1 mm -97.88 -29.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 p 53.88 86.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.86 96.34 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.015 0.436 . . . . 0.0 110.802 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -137.28 134.46 36.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.79 84.77 2.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.446 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.524 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -78.53 66.05 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.47 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 449' ' ' LYS . 4.5 m95 48.65 175.61 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.13 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.443 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.443 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.424 ' CE3' HG23 ' A' ' 487' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.434 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.424 HG23 ' CE3' ' A' ' 470' ' ' TRP . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.423 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 106.721 0.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.441 ' C6 ' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.486 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.486 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.307 0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.279 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.429 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.429 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.536 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C5'-C4'-O4' 108.717 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 102.047 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 106.582 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 O5'-C5'-C4' 110.975 0.554 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.42 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.42 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.42 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.792 0.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.524 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C1'-O4'-C4' 110.295 0.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.419 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.272 0.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.419 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.434 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.653 0.263 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.48 158.53 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.9 p -93.66 142.24 27.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.2 t -162.23 -50.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 1.2 p -86.13 -23.19 26.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 69.51 80.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 11.8 pt 40.24 95.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.268 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.0 m 61.84 151.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -166.37 33.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -120.4 138.19 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 83.79 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.526 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.443 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 1.6 pttt -74.43 65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.453 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.41 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.2 174.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.248 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.456 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.567 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.42 ' CE3' HG23 ' A' ' 487' ' ' ILE . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.422 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.567 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.42 HG23 ' CE3' ' A' ' 470' ' ' TRP . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.441 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.488 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 106.514 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.523 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.851 -0.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.523 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 102.109 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.357 0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 106.611 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.541 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.619 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.541 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C5'-C4'-O4' 108.713 -0.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.18 0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 102.142 -0.398 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.237 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.565 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O5'-C5'-C4' 110.964 0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.384 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.404 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.421 0.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.404 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-O4' 108.799 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.451 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.451 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.661 0.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.284 0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.09 30.96 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.05 98.1 6.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.768 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -75.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -32.98 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 63.7 29.92 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.6 mp 75.89 -56.25 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.4 t -94.68 150.66 20.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -154.25 114.55 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.35 99.78 5.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 78.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.482 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -60.2 168.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.437 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 -93.05 168.62 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.39 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.42 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.43 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . 0.443 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.414 HG13 ' H42' ' C' ' 22' ' ' ' DC' . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.437 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.414 H2'' ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.534 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.534 ' C4 ' ' N3 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 102.114 -0.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.779 -0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 108.786 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.4 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.655 0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.554 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.471 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.554 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.178 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.11 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.431 0.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 110.979 0.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.427 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.427 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.212 0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.447 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 106.921 0.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.482 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.37 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.414 ' H42' HG13 ' A' ' 485' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C1'-O4'-C4' 110.224 0.374 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.233 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.625 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.02 132.15 54.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.47 167.97 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -168.98 -71.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.252 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.82 37.27 1.42 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.721 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -44.88 127.53 6.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.5 pt -144.16 95.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.1 t -178.19 -172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt 63.64 132.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -93.17 117.17 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.926 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -97.1 121.69 39.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.204 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.585 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -90.04 168.06 12.29 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 111.408 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.416 ' O ' ' CB ' ' A' ' 451' ' ' THR . 6.0 m0 -51.75 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.77 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' THR . . . . . 0.416 ' CB ' ' O ' ' A' ' 450' ' ' TRP . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.506 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.506 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.455 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 106.868 0.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.499 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.889 -0.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.502 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 102.093 -0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.502 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.245 0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.44 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.433 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.44 ' H71' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.439 ' H71' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C5'-C4'-O4' 108.823 -0.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.168 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 102.172 -0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.924 0.517 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.404 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.404 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 108.848 -0.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.523 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.123 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.585 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 106.024 0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.121 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 106.645 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 110.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.5 76.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.3 t -167.22 -43.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.55 3.25 37.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.345 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.86 164.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . 0.706 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.8 OUTLIER -115.68 -28.94 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.93 75.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -112.45 -19.54 12.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.53 105.18 17.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.48 122.9 44.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.607 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -90.34 167.19 12.84 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.043 0.449 . . . . 0.0 111.432 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.405 ' CH2' ' HG3' ' A' ' 490' ' ' ARG . 8.3 m0 -57.95 -86.54 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.89 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.436 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.439 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.57 0 O4'-C1'-C2' 106.761 0.601 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.5 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 102.107 -0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.428 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 106.616 0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.515 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.282 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.515 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C4'-C3' 106.186 0.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.706 H5'' ' O ' ' A' ' 444' ' ' ILE . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 102.004 -0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C1'-O4'-C4' 110.475 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C1'-O4'-C4' 110.406 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.809 0.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C5'-C4'-O4' 108.804 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.489 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.607 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . 0.404 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C1'-O4'-C4' 110.244 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.404 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.447 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.404 ' H71' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.215 0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.79 115.03 29.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.9 160.21 25.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.55 -55.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 0.75 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.403 ' O ' HG13 ' A' ' 444' ' ' ILE . 0.8 OUTLIER 63.81 121.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.02 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 443' ' ' ASN . 7.5 pt 34.41 94.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.402 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -158.05 46.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -143.36 -57.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.04 112.19 25.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.42 78.7 8.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.729 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.485 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 3.0 pttt -74.14 75.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.432 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 449' ' ' LYS . 2.1 m0 46.76 176.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 178.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.51 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.51 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.44 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-C2' 106.654 0.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.462 ' C6 ' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C5'-C4'-O4' 108.79 -0.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 102.175 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.606 0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.549 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.549 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.141 0.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 101.883 -0.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 106.6 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.488 0 O5'-C5'-C4' 110.874 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.398 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C1'-O4'-C4' 110.448 0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C5'-C4'-O4' 108.793 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.556 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.84 0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.556 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.634 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . 0.482 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . 0.482 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.262 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 106.635 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.419 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.836 0.35 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.0 110.18 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.29 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.44 -45.97 8.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 109.913 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.75 148.91 0.02 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.4 pt -132.24 105.6 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 t -136.56 152.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -73.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -145.87 158.38 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -144.99 79.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.658 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 25.4 ttmt -66.36 145.31 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -65.02 170.33 4.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.42 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.441 ' C6 ' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.511 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C5'-C4'-O4' 108.725 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.322 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.449 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.449 ' H71' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.444 ' H71' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C3'-C2'-C1' 102.202 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 102.089 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.412 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.412 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.454 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.168 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.658 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 106.842 0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.746 0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.429 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.429 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.429 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.236 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.57 155.93 26.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 18.0 m -92.44 145.71 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -162.18 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 13.8 t -104.42 27.74 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.1 158.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 6.2 pt -141.07 110.22 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.8 167.87 19.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.5 128.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -88.82 117.84 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.47 79.25 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.461 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.514 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -76.12 63.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.456 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 49.35 175.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.961 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.423 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.421 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.549 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.438 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.446 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.269 0.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.533 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 102.162 -0.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.311 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.455 0.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.486 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.326 0.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.486 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.258 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 102.115 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 102.152 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.323 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O5'-C5'-C4' 110.994 0.567 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.4 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.4 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-O4' 108.787 -0.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.436 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.633 0.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.514 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.461 1.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.227 0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.447 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.447 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C1'-O4'-C4' 110.273 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.13 44.03 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.7 107.22 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.89 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.19 33.96 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.9 171.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 2.2 pt -64.63 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -144.56 72.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -126.58 -56.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -96.18 122.44 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -79.86 79.43 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.125 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.535 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -80.33 72.93 7.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.821 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.82 175.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.244 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.453 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.491 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.416 ' CE3' HG21 ' A' ' 487' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.491 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.416 HG21 ' CE3' ' A' ' 470' ' ' TRP . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.421 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.725 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.448 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.525 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.525 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C5'-C4'-O4' 108.793 -0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.252 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.204 0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.536 0.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.531 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.283 0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.531 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C1'-O4'-C4' 110.519 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.134 0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 101.858 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O5'-C5'-C4' 110.869 0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.395 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.463 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.468 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.463 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.526 ' C6 ' ' C6 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.526 0.818 0 C3'-C2'-C1' 105.254 1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.535 " H4'" ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.835 -0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . 0.415 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.538 0.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.443 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.3 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.443 ' H71' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C1'-O4'-C4' 110.268 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.614 0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.09 104.17 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.983 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.09 114.72 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.08 -48.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.93 21.32 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.055 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.11 115.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -153.9 117.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m 65.19 85.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -26.83 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -85.21 127.59 34.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 86.07 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.632 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -68.74 167.22 15.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.411 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.86 170.0 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.463 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.463 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.42 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.445 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.983 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.477 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 C1'-O4'-C4' 110.272 0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.532 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.371 0.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.532 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C1'-O4'-C4' 110.216 0.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 102.018 -0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.436 ' N1 ' ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.436 ' H71' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 102.016 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-O4' 108.85 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C1'-O4'-C4' 110.277 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 106.539 0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.409 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.388 0.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.409 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.758 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.685 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.632 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.498 0.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.545 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.269 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.435 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.435 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.329 0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 102.121 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.643 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.86 166.49 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 30.2 m -81.49 130.09 34.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.07 -60.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.08 22.99 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.95 109.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.909 0.385 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.3 pp -148.84 108.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 t -69.41 160.58 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . 0.401 ' HG3' ' OP1' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER 179.43 130.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.63 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 127.92 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.609 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 11.0 pttt -90.01 167.56 12.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 111.416 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.431 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 -65.74 170.03 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.351 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.431 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.495 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . 0.421 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . 0.412 ' CE3' HG23 ' A' ' 487' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.423 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.495 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . 0.412 HG23 ' CE3' ' A' ' 470' ' ' TRP . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . 0.431 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.449 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.522 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.536 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.041 -0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.536 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 102.247 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.219 0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.423 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.005 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . 0.423 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.602 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.363 0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.417 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.487 0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.417 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.291 0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.517 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.324 1.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.609 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C1'-O4'-C4' 110.399 0.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.444 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.444 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.417 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.48 30.77 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.59 115.8 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.7 -71.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.63 27.94 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.34 103.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.11 110.12 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.27 151.62 31.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.959 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.59 33.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -121.13 140.12 52.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.71 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 73.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.659 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 3.9 ptpt -75.63 168.96 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -77.1 169.66 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.448 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.448 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.437 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.744 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.446 ' C6 ' ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.383 0.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.36 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 102.135 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.385 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.432 ' C8 ' ' H71' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.466 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.466 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 108.815 -0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C5'-C4'-O4' 108.694 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 102.015 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.17 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.55 0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C1'-O4'-C4' 110.516 0.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.439 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.453 0.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.439 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.659 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.367 0.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 106.579 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C5'-C4'-O4' 108.747 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.734 0.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.5 34.47 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.1 m -152.74 135.39 15.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.5 t -176.8 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.53 29.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 59.23 -174.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -130.11 104.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 175.48 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -151.09 0.47 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.81 106.96 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.1 83.37 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.54 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -75.21 64.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.901 -178.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 47.91 175.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . 0.418 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.418 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' SER . . . . . 0.437 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . 0.437 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.423 HG13 ' H42' ' C' ' 22' ' ' ' DC' . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . 0.438 ' C8 ' ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 106.839 0.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.525 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.746 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.546 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 102.101 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 106.554 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.329 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.632 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.521 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.026 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 102.026 -0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 110.92 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.405 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.418 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.418 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C5'-C4'-O4' 108.77 -0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.953 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.54 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.3 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.193 0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.441 ' C6 ' ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.441 ' H71' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C1'-O4'-C4' 110.289 0.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.733 0.302 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.91 83.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.75 119.15 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -69.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -18.51 29.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.038 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 444' ' ' ILE . 0.3 OUTLIER 69.48 131.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.968 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ILE . . . . . 0.418 ' CB ' ' O ' ' A' ' 443' ' ' ASN . 2.8 mt 85.2 -20.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.916 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m 61.69 154.04 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.727 0.299 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 -52.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -130.06 135.55 48.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.099 0.476 . . . . 0.0 111.561 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 120.95 20.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.023 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.473 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 35.0 pttt -90.17 58.98 4.29 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.838 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 48.49 175.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.152 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.408 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.559 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' TRP . . . . . . . . . . . . . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' SER . . . . . 0.408 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' TYR . . . . . 0.448 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' PRO . . . . . 0.559 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O4'-C1'-C2' 106.748 0.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' DT' . . . . . 0.474 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.36 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . 0.527 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' DA' . . . . . 0.527 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.256 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.554 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.831 0.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ' DT' . . . . . 0.447 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.447 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 102.085 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.225 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . 0.462 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ' DT' . . . . . 0.462 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 106.067 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.693 H2'' " O5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C3'-C2'-C1' 105.649 2.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.693 " O5'" H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.799 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.428 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ' DT' . . . . . 0.428 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.451 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 470' ' ' TRP . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.402 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 458' ' ' VAL . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 455' ' ' SER . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.442 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.533 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 470' ' ' TRP . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.573 ' O ' HG13 ' A' ' 480' ' ' VAL . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 484' ' ' ALA . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.606 ' O ' HG23 ' A' ' 458' ' ' VAL . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 454' ' ' GLU . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.472 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.472 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.404 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 470' ' ' TRP . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.446 ' N ' ' CD1' ' A' ' 450' ' ' TRP . 11.3 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 453' ' ' GLU . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 451' ' ' THR . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.507 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.622 HG13 ' C ' ' A' ' 466' ' ' GLY . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.622 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.52 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 470' ' ' TRP . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.905 0.384 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.521 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.521 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.427 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 470' ' ' TRP . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 480' ' ' VAL . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.791 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.468 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 462' ' ' VAL . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 458' ' ' VAL . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.44 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.44 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 470' ' ' TRP . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 4.5 m95 . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 458' ' ' VAL . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 454' ' ' GLU . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.528 HG13 ' C ' ' A' ' 466' ' ' GLY . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.528 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' TRP . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 458' ' ' VAL . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.413 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.413 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.959 0.409 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 462' ' ' VAL . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.649 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.649 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 493' ' ' THR . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 493' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.499 ' C ' HG22 ' A' ' 451' ' ' THR . 6.0 m0 . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 454' ' ' GLU . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 451' ' ' THR . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 462' ' ' VAL . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.616 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 465' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 462' ' ' VAL . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.616 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.435 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 480' ' ' VAL . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 487' ' ' ILE . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 483' ' ' THR . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.714 ' O ' HG22 ' A' ' 493' ' ' THR . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 451' ' ' THR . 8.3 m0 . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 450' ' ' TRP . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 462' ' ' VAL . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.682 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.682 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.494 HD12 ' HE3' ' A' ' 470' ' ' TRP . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 454' ' ' GLU . 2.1 m0 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 450' ' ' TRP . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 465' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 464' ' ' LYS . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.713 ' HA ' HD12 ' A' ' 473' ' ' ILE . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 470' ' ' TRP . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.578 ' O ' HG13 ' A' ' 480' ' ' VAL . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 490' ' ' ARG . 9.5 m0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.376 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.458 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 466' ' ' GLY . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.529 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.685 ' HA ' HD12 ' A' ' 473' ' ' ILE . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 470' ' ' TRP . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.426 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 450' ' ' TRP . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.089 0.471 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 458' ' ' VAL . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 466' ' ' GLY . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.55 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 480' ' ' VAL . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 493' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 458' ' ' VAL . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 454' ' ' GLU . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.536 HG13 ' C ' ' A' ' 466' ' ' GLY . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.536 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 473' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.515 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 480' ' ' VAL . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 484' ' ' ALA . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.735 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.735 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.497 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 480' ' ' VAL . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 484' ' ' ALA . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 454' ' ' GLU . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 451' ' ' THR . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.522 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.544 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.544 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 462' ' ' VAL . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.772 ' HA ' HD12 ' A' ' 473' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 470' ' ' TRP . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 480' ' ' VAL . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 484' ' ' ALA . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 458' ' ' VAL . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.457 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.558 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.558 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.478 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.516 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 470' ' ' TRP . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 480' ' ' VAL . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 484' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 458' ' ' VAL . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 454' ' ' GLU . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.643 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.643 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 479' ' ' PHE . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 493' ' ' THR . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 493' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 458' ' ' VAL . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 454' ' ' GLU . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 462' ' ' VAL . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 470' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 470' ' ' TRP . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 478' ' ' PRO . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.82 108.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 21.6 p -130.49 152.18 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.38 -77.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -28.06 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.68 109.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.3 pt -137.14 89.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 t -158.26 83.22 0.85 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.84 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -149.38 134.95 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.24 88.94 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.691 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -74.38 144.87 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 0.0 110.806 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -60.3 169.68 1.56 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.451 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 470' ' ' TRP . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.443 " H2'" ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C1'-C2' 106.742 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.443 " H2'" ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.531 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.516 0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.452 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.621 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.487 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.487 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C5'-C4'-O4' 108.723 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.246 0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 110.318 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.552 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O5'-C5'-C4' 110.929 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.507 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.452 0.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.507 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.512 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.691 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.572 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.448 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.448 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 C5'-C4'-O4' 108.812 -0.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.297 0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.179 0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 30.44 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.97 112.97 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.1 t -161.49 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 10.2 t -127.43 23.27 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.81 144.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.79 -48.13 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.8 161.62 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 447' ' ' LYS . 11.8 ptpt -115.71 -142.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 446' ' ' LYS . 12.0 tptt -118.19 130.42 56.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.084 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -130.58 83.14 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.606 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -63.67 166.29 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.34 170.38 8.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.402 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 458' ' ' VAL . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 455' ' ' SER . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.442 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.533 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 470' ' ' TRP . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.573 ' O ' HG13 ' A' ' 480' ' ' VAL . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.466 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 484' ' ' ALA . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.54 " C2'" ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.78 0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.54 ' H71' " C2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.279 0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.528 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.1 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.474 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.405 0.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.474 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.455 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.232 0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 102.187 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.163 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O5'-C5'-C4' 110.925 0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.275 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.401 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.606 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 106.688 0.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.308 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.244 0.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.393 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.53 -175.76 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER 63.11 177.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.991 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -171.1 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.297 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.33 60.0 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 0.0 109.936 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.93 134.88 4.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.659 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 5.7 pt -115.67 88.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.15 32.01 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -38.57 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.46 ' HE3' ' HA ' ' A' ' 447' ' ' LYS . 0.1 OUTLIER -108.46 82.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.15 82.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.43 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.624 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -50.69 163.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.472 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.15 169.83 17.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.316 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.606 ' O ' HG23 ' A' ' 458' ' ' VAL . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 454' ' ' GLU . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.472 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.472 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.404 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 470' ' ' TRP . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.488 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.602 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.593 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.593 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.499 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C1'-O4'-C4' 110.197 0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.4 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.4 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.743 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.007 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 106.566 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.423 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 C1'-O4'-C4' 110.367 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C1'-O4'-C4' 110.324 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.439 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.439 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.752 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.29 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.624 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.675 0.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.449 0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.301 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.545 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 106.551 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.545 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.57 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.08 30.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 11.3 p -148.35 128.11 13.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.28 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 9.8 t -123.06 27.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.37 153.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.71 -31.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.6 m 62.56 84.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -78.85 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -134.72 -48.24 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -160.53 42.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.496 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -79.21 169.07 18.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.446 ' CD1' ' N ' ' A' ' 450' ' ' TRP . 11.3 m0 -87.68 171.87 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 453' ' ' GLU . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 451' ' ' THR . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.507 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.622 HG13 ' C ' ' A' ' 466' ' ' GLY . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.622 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.52 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 470' ' ' TRP . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.434 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C1'-O4'-C4' 110.502 0.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.604 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.604 ' H72' ' C6 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.21 0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.479 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 102.191 -0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 102.152 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.542 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.494 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.949 0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.49 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.49 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 102.14 -0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.63 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.496 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.065 0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C1'-O4'-C4' 110.251 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.456 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 106.696 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.456 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.294 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C5'-C4'-O4' 108.806 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.05 59.07 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.53 126.59 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.83 -72.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.24 29.42 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.018 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.9 177.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 3.1 pt -82.75 86.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.38 88.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.699 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -111.18 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.188 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 158.85 32.83 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.15 82.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.208 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.638 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -81.71 167.22 19.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 0.0 111.336 -179.294 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.13 170.58 12.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.521 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.521 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.427 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 470' ' ' TRP . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 480' ' ' VAL . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.791 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.535 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 O4'-C1'-C2' 106.755 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.535 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.252 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.52 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.52 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.442 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.442 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.429 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 106.508 0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.049 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.037 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O5'-C5'-C4' 110.932 0.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.426 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.426 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C5'-C4'-O4' 108.801 -0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.587 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.259 1.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.638 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.456 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.48 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.332 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.48 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 110.352 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 106.605 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.951 0.405 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.47 38.47 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.18 138.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -64.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 16.81 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 444' ' ' ILE . 0.9 OUTLIER 60.67 114.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.827 0.346 . . . . 0.0 111.064 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 443' ' ' ASN . 7.2 pt -160.08 112.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.411 ' HA ' ' OP1' ' B' ' 11' ' ' ' DG' . 0.7 OUTLIER -138.46 90.33 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.38 98.98 5.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.81 102.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -87.4 86.75 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.528 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 23.6 mttt -80.09 162.37 24.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -72.87 169.36 16.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.468 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 462' ' ' VAL . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 458' ' ' VAL . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.44 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.44 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 470' ' ' TRP . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.438 ' HB2' ' NH1' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.6 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C4'-C3' 106.258 0.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.6 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.226 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.539 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 102.169 -0.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.19 0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.463 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.652 0.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.463 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.198 0.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.455 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.52 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.537 ' N1 ' ' C6 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 103.739 0.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.411 ' OP1' ' HA ' ' A' ' 445' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.167 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 C1'-O4'-C4' 110.339 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.47 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.426 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.504 ' C2 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C5'-C4'-O4' 108.829 -0.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.537 ' C6 ' ' N1 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.424 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.528 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.884 0.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.611 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.395 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.611 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.48 127.02 43.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.76 130.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.5 -73.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 15.4 t -96.4 -5.82 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.3 157.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 28.1 mm -97.88 -29.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 p 53.88 86.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.86 96.34 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.015 0.436 . . . . 0.0 110.802 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -137.28 134.46 36.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.79 84.77 2.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.446 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.51 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -78.53 66.05 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.47 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 449' ' ' LYS . 4.5 m95 48.65 175.61 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.13 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 458' ' ' VAL . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 454' ' ' GLU . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.528 HG13 ' C ' ' A' ' 466' ' ' GLY . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.528 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' TRP . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.456 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 106.721 0.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.608 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.608 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.486 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.307 0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.279 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.454 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.429 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.536 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C5'-C4'-O4' 108.717 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 102.047 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 106.582 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.413 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 O5'-C5'-C4' 110.975 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.418 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.418 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.792 0.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.51 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C1'-O4'-C4' 110.295 0.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.561 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.272 0.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.561 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.434 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.653 0.263 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.48 158.53 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.9 p -93.66 142.24 27.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.2 t -162.23 -50.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' THR . . . . . 0.439 HG21 ' OP1' ' B' ' 11' ' ' ' DG' . 1.2 p -86.13 -23.19 26.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 69.51 80.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 11.8 pt 40.24 95.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.268 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.0 m 61.84 151.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' A' ' 442' ' ' THR . 24.8 tttt -166.37 33.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -120.4 138.19 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 83.79 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.526 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.424 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 1.6 pttt -74.43 65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.453 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.41 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.2 174.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.248 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 458' ' ' VAL . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.413 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.413 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ALA . . . . . 0.41 ' HB2' " H3'" ' B' ' 2' ' ' ' DT' . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.519 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.519 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 106.514 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.523 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.851 -0.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.523 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 102.109 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.357 0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 106.611 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.541 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.619 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.541 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C5'-C4'-O4' 108.713 -0.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.18 0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.439 ' OP1' HG21 ' A' ' 442' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 102.142 -0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.237 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.565 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O5'-C5'-C4' 110.964 0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.384 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.438 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.421 0.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.438 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-O4' 108.799 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.448 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . 0.4 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.517 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.661 0.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.517 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.284 0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.09 30.96 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.05 98.1 6.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.768 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -75.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -32.98 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.45 ' O ' HD12 ' A' ' 444' ' ' ILE . 0.7 OUTLIER 63.7 29.92 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 443' ' ' ASN . 1.6 mp 75.89 -56.25 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.4 t -94.68 150.66 20.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -154.25 114.55 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.35 99.78 5.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 78.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.477 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -60.2 168.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 -93.05 168.62 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.39 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 462' ' ' VAL . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.649 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' GLY . . . . . 0.458 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.649 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.457 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 493' ' ' THR . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.413 H2'' ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.534 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.534 ' C4 ' ' N3 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 102.114 -0.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.779 -0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 108.786 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.422 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.655 0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.554 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.471 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.554 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.178 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.11 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.431 0.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.409 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 110.979 0.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.437 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.437 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.212 0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 106.921 0.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.487 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . 0.403 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.37 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.527 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C1'-O4'-C4' 110.224 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.233 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.625 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.02 132.15 54.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER -134.47 167.97 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -168.98 -71.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.252 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.82 37.27 1.42 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.721 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -44.88 127.53 6.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.5 pt -144.16 95.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.1 t -178.19 -172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt 63.64 132.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 447' ' ' LYS . . . . . 0.416 ' HB2' " H5'" ' B' ' 11' ' ' ' DG' . 0.6 OUTLIER -93.17 117.17 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.926 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 448' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -97.1 121.69 39.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.204 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.594 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -90.04 168.06 12.29 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 111.408 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.499 ' C ' HG22 ' A' ' 451' ' ' THR . 6.0 m0 -51.75 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.77 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 454' ' ' GLU . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 451' ' ' THR . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 462' ' ' VAL . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.616 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 465' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 462' ' ' VAL . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' GLY . . . . . 0.4 ' HA2' ' P ' ' B' ' 4' ' ' ' DA' . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.616 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.435 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 480' ' ' VAL . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 487' ' ' ILE . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 483' ' ' THR . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.714 ' O ' HG22 ' A' ' 493' ' ' THR . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.507 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 106.868 0.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.507 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.889 -0.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.502 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 102.093 -0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.502 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.245 0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.466 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.433 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.466 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.459 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C5'-C4'-O4' 108.823 -0.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.168 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.416 " H5'" ' HB2' ' A' ' 447' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 102.172 -0.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.448 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.924 0.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.403 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 108.848 -0.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.531 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.123 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.594 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 106.024 0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.504 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.504 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.121 -0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 106.645 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 110.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.5 76.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.3 t -167.22 -43.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.55 3.25 37.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.345 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.86 164.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.708 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.8 OUTLIER -115.68 -28.94 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.93 75.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -112.45 -19.54 12.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.53 105.18 17.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.48 122.9 44.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.607 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -90.34 167.19 12.84 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.043 0.449 . . . . 0.0 111.432 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 451' ' ' THR . 8.3 m0 -57.95 -86.54 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.89 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 450' ' ' TRP . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 462' ' ' VAL . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.682 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.682 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.494 HD12 ' HE3' ' A' ' 470' ' ' TRP . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.436 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.57 0 O4'-C1'-C2' 106.761 0.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.5 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 102.107 -0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.428 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.416 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 106.616 0.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.515 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.282 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.515 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C4'-C3' 106.186 0.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.708 H5'' ' O ' ' A' ' 444' ' ' ILE . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 102.004 -0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C1'-O4'-C4' 110.475 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C1'-O4'-C4' 110.406 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.809 0.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C5'-C4'-O4' 108.804 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.607 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C1'-O4'-C4' 110.244 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.474 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.447 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.474 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.215 0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.79 115.03 29.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.9 160.21 25.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.55 -55.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 0.75 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 444' ' ' ILE . 0.8 OUTLIER 63.81 121.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.02 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 443' ' ' ASN . 7.5 pt 34.41 94.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.402 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 444' ' ' ILE . 0.8 OUTLIER -158.05 46.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -143.36 -57.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.04 112.19 25.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.42 78.7 8.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.729 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.513 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 3.0 pttt -74.14 75.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.432 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 449' ' ' LYS . 2.1 m0 46.76 176.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 178.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 450' ' ' TRP . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 465' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 464' ' ' LYS . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.713 ' HA ' HD12 ' A' ' 473' ' ' ILE . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 470' ' ' TRP . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.578 ' O ' HG13 ' A' ' 480' ' ' VAL . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.412 HD22 ' OP1' ' C' ' 17' ' ' ' DT' . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.454 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-C2' 106.654 0.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.493 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C5'-C4'-O4' 108.79 -0.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 102.175 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.606 0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.549 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.549 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.141 0.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 101.883 -0.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 106.6 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.431 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.488 0 O5'-C5'-C4' 110.874 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.398 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.457 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C1'-O4'-C4' 110.448 0.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.457 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C5'-C4'-O4' 108.793 -0.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.562 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.84 0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.562 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.634 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . 0.482 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . 0.482 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.262 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.454 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 106.635 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.454 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.419 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.836 0.35 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.0 110.18 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.29 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 442' ' ' THR . 0.0 OUTLIER -176.56 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 442' ' ' THR . . . . . 0.609 ' H ' HG23 ' A' ' 441' ' ' THR . 0.2 OUTLIER -90.44 -45.97 8.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 109.913 179.145 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.75 148.91 0.02 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.4 pt -132.24 105.6 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 t -136.56 152.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -73.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -145.87 158.38 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -144.99 79.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.662 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 25.4 ttmt -66.36 145.31 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 490' ' ' ARG . 9.5 m0 -65.02 170.33 4.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.458 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 466' ' ' GLY . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.529 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.685 ' HA ' HD12 ' A' ' 473' ' ' ILE . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 470' ' ' TRP . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.426 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 450' ' ' TRP . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.432 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.592 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.592 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C5'-C4'-O4' 108.725 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.322 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.471 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.483 ' N1 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.483 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C3'-C2'-C1' 102.202 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 102.089 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.408 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.464 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.168 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.662 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 106.842 0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.746 0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.519 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.429 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.519 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.236 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.57 155.93 26.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 441' ' ' THR . 18.0 m -92.44 145.71 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 440' ' ' SER . 0.3 OUTLIER -162.18 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 13.8 t -104.42 27.74 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.1 158.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 6.2 pt -141.07 110.22 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.8 167.87 19.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.5 128.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -88.82 117.84 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.47 79.25 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.461 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.51 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -76.12 63.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.456 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 49.35 175.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.961 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 458' ' ' VAL . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 466' ' ' GLY . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.55 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 480' ' ' VAL . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.445 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.512 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.269 0.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.533 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 102.162 -0.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.311 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.455 0.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.486 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.326 0.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.486 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.258 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 102.115 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 102.152 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.323 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.433 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O5'-C5'-C4' 110.994 0.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.516 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.516 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-O4' 108.787 -0.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.633 0.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.51 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.461 1.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.227 0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.546 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.546 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C1'-O4'-C4' 110.273 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.13 44.03 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 440' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER -152.7 107.22 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 441' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -170.89 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.19 33.96 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.9 171.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 2.2 pt -64.63 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -144.56 72.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -126.58 -56.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -96.18 122.44 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -79.86 79.43 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.125 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.568 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -80.33 72.93 7.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.821 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.82 175.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.244 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 458' ' ' VAL . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 454' ' ' GLU . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.536 HG13 ' C ' ' A' ' 466' ' ' GLY . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.536 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 473' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.515 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 480' ' ' VAL . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 484' ' ' ALA . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.465 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.725 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.525 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C5'-C4'-O4' 108.793 -0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.252 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.204 0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.536 0.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.58 " C2'" ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.283 0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.58 ' H71' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C1'-O4'-C4' 110.519 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.134 0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 101.858 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.463 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O5'-C5'-C4' 110.869 0.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.395 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.46 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.468 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.526 ' C6 ' ' C6 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.526 0.818 0 C3'-C2'-C1' 105.254 1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.568 " H4'" ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.835 -0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . 0.415 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.538 0.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.509 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.3 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.509 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C1'-O4'-C4' 110.268 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.614 0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.09 104.17 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.983 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.09 114.72 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.08 -48.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.93 21.32 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.055 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.11 115.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -153.9 117.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m 65.19 85.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -26.83 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -85.21 127.59 34.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 86.07 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.626 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -68.74 167.22 15.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.411 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.86 170.0 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.735 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.735 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.497 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 480' ' ' VAL . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 484' ' ' ALA . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.505 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.983 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 C1'-O4'-C4' 110.272 0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.371 0.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.532 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C1'-O4'-C4' 110.216 0.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 102.018 -0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.428 ' N1 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.428 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 102.016 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-O4' 108.85 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C1'-O4'-C4' 110.277 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 106.539 0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . 0.413 ' H6 ' HO5' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.388 0.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.408 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.758 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.499 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.685 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.626 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.498 0.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.545 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.269 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.502 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.502 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.329 0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 102.121 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.643 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.86 166.49 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 30.2 m -81.49 130.09 34.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.07 -60.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.08 22.99 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.95 109.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.909 0.385 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.599 ' O ' HD12 ' A' ' 444' ' ' ILE . 1.3 pp -148.84 108.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 t -69.41 160.58 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' LYS . . . . . 0.411 ' HG3' ' OP1' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER 179.43 130.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.63 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 127.92 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.603 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 11.0 pttt -90.01 167.56 12.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 111.416 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 -65.74 170.03 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.351 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 454' ' ' GLU . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 451' ' ' THR . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.522 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.544 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.544 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 462' ' ' VAL . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' GLY . . . . . 0.417 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.772 ' HA ' HD12 ' A' ' 473' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 470' ' ' TRP . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 480' ' ' VAL . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 484' ' ' ALA . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.512 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.522 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.536 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.041 -0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.536 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 102.247 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.451 " C2'" ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.219 0.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.451 ' H72' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.418 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.005 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.418 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.602 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.363 0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.422 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.487 0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.422 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.291 0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.531 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.324 1.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.603 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C1'-O4'-C4' 110.399 0.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.514 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.514 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.417 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.48 30.77 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.59 115.8 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.7 -71.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.63 27.94 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.34 103.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.11 110.12 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.27 151.62 31.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.959 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.59 33.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -121.13 140.12 52.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.71 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 73.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.655 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 3.9 ptpt -75.63 168.96 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -77.1 169.66 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 458' ' ' VAL . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.457 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.558 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.558 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.478 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.516 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 470' ' ' TRP . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 480' ' ' VAL . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 484' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.434 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.744 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.521 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.383 0.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.36 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 102.135 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.385 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.47 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.499 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 108.815 -0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C5'-C4'-O4' 108.694 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 102.015 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.17 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.55 0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C1'-O4'-C4' 110.516 0.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.436 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.453 0.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.655 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.367 0.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 106.579 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.538 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.538 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C5'-C4'-O4' 108.747 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.734 0.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.5 34.47 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.1 m -152.74 135.39 15.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.5 t -176.8 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.53 29.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 59.23 -174.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -130.11 104.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 175.48 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -151.09 0.47 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.81 106.96 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.1 83.37 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.532 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -75.21 64.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.901 -178.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 47.91 175.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 458' ' ' VAL . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 454' ' ' GLU . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.643 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.643 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 479' ' ' PHE . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.425 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 493' ' ' THR . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 493' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . 0.437 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 106.839 0.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.525 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.746 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.546 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 102.101 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 106.554 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.329 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.632 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.521 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.026 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 102.026 -0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 110.92 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.405 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.504 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.504 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C5'-C4'-O4' 108.77 -0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.537 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.953 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.537 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.3 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.193 0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.526 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.526 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C1'-O4'-C4' 110.289 0.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.733 0.302 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.91 83.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.75 119.15 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -69.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -18.51 29.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.038 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 444' ' ' ILE . 0.3 OUTLIER 69.48 131.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.968 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ILE . . . . . 0.418 ' CB ' ' O ' ' A' ' 443' ' ' ASN . 2.8 mt 85.2 -20.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.916 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m 61.69 154.04 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.727 0.299 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 -52.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -130.06 135.55 48.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.099 0.476 . . . . 0.0 111.561 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 120.95 20.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.023 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.464 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 35.0 pttt -90.17 58.98 4.29 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.838 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 48.49 175.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.152 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 458' ' ' VAL . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 454' ' ' GLU . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 462' ' ' VAL . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 470' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 470' ' ' TRP . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' PRO . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O4'-C1'-C2' 106.748 0.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' DT' . . . . . 0.57 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.36 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.57 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' DA' . . . . . 0.527 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.256 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.554 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.831 0.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ' DT' . . . . . 0.545 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.545 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 102.085 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.225 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . 0.46 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 106.067 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.704 H2'' " O5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C3'-C2'-C1' 105.649 2.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.704 " O5'" H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.799 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.434 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ' DT' . . . . . 0.434 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.451 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 470' ' ' TRP . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.836 0.351 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.402 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 458' ' ' VAL . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 455' ' ' SER . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.442 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.533 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 470' ' ' TRP . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.573 ' O ' HG13 ' A' ' 480' ' ' VAL . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 484' ' ' ALA . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.975 0.417 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.606 ' O ' HG23 ' A' ' 458' ' ' VAL . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 454' ' ' GLU . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.472 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.472 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.404 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 470' ' ' TRP . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.446 ' N ' ' CD1' ' A' ' 450' ' ' TRP . 11.3 m0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 453' ' ' GLU . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 451' ' ' THR . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.507 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.622 HG13 ' C ' ' A' ' 466' ' ' GLY . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.622 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.52 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 470' ' ' TRP . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.905 0.384 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.521 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.521 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.427 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 470' ' ' TRP . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 480' ' ' VAL . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.791 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.858 0.361 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.468 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 462' ' ' VAL . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 458' ' ' VAL . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.44 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.44 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 470' ' ' TRP . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 4.5 m95 . . . . . 0 CA--C 1.531 0.23 0 CA-C-O 121.083 0.468 . . . . 0.0 112.13 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 458' ' ' VAL . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 454' ' ' GLU . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.528 HG13 ' C ' ' A' ' 466' ' ' GLY . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.528 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' TRP . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.531 0.231 0 CA-C-O 121.175 0.512 . . . . 0.0 112.248 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 458' ' ' VAL . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.413 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.413 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.959 0.409 . . . . 0.0 111.39 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 462' ' ' VAL . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.649 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.649 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 493' ' ' THR . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.499 ' C ' HG22 ' A' ' 451' ' ' THR . 6.0 m0 . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 454' ' ' GLU . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 451' ' ' THR . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 462' ' ' VAL . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.616 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 462' ' ' VAL . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.616 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.435 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 480' ' ' VAL . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 487' ' ' ILE . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 483' ' ' THR . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.714 ' O ' HG22 ' A' ' 493' ' ' THR . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 451' ' ' THR . 8.3 m0 . . . . . 0 CA--C 1.533 0.292 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 450' ' ' TRP . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 462' ' ' VAL . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.682 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.682 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.494 HD12 ' HE3' ' A' ' 470' ' ' TRP . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.406 ' CZ3' ' HB3' ' A' ' 454' ' ' GLU . 2.1 m0 . . . . . 0 N--CA 1.462 0.174 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 450' ' ' TRP . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 464' ' ' LYS . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.713 ' HA ' HD12 ' A' ' 473' ' ' ILE . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 470' ' ' TRP . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.578 ' O ' HG13 ' A' ' 480' ' ' VAL . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 490' ' ' ARG . 9.5 m0 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.891 0.376 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.458 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 466' ' ' GLY . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.529 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.685 ' HA ' HD12 ' A' ' 473' ' ' ILE . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 470' ' ' TRP . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.426 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 450' ' ' TRP . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.089 0.471 . . . . 0.0 111.961 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 458' ' ' VAL . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 466' ' ' GLY . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.55 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 480' ' ' VAL . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 458' ' ' VAL . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 454' ' ' GLU . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.536 HG13 ' C ' ' A' ' 466' ' ' GLY . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.536 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 473' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.515 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 480' ' ' VAL . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 484' ' ' ALA . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.868 0.366 . . . . 0.0 111.333 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.735 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.735 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.497 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 480' ' ' VAL . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 484' ' ' ALA . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.94 0.4 . . . . 0.0 111.351 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 454' ' ' GLU . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 451' ' ' THR . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.522 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.544 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.544 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 462' ' ' VAL . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.772 ' HA ' HD12 ' A' ' 473' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 470' ' ' TRP . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 480' ' ' VAL . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 484' ' ' ALA . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 . . . . . 0 CA--C 1.528 0.101 0 CA-C-O 120.883 0.373 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 458' ' ' VAL . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.457 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.558 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.558 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.478 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.516 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 470' ' ' TRP . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 480' ' ' VAL . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 458' ' ' VAL . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 454' ' ' GLU . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.643 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.643 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 479' ' ' PHE . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 493' ' ' THR . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 CA--C 1.531 0.239 0 CA-C-O 121.093 0.473 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 458' ' ' VAL . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 454' ' ' GLU . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 462' ' ' VAL . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 470' ' ' TRP . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' PRO . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.458 -0.057 0 CA-C-O 120.879 0.371 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.82 108.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 21.6 p -130.49 152.18 50.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -141.38 -77.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.8 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.61 -28.06 23.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 62.68 109.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.836 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.3 pt -137.14 89.35 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 t -158.26 83.22 0.85 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.84 -67.61 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.789 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -149.38 134.95 18.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -121.24 88.94 3.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.563 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.691 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -74.38 144.87 44.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.722 0.296 . . . . 0.0 110.806 -179.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -60.3 169.68 1.56 Allowed 'General case' 0 C--O 1.232 0.151 0 CA-C-O 121.03 0.443 . . . . 0.0 111.685 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.98 174.85 5.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.589 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.24 -18.57 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.7 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.4 mt-10 -76.93 -47.17 21.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.887 0.375 . . . . 0.0 111.244 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -64.29 -38.25 90.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.287 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.6 m -69.78 -24.5 63.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.355 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -77.79 -37.65 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.55 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 18.9 m0 -66.86 -35.75 80.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.168 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 73.9 t -76.8 -33.29 21.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.291 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -41.09 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.926 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.32 -30.11 30.65 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.44 96.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.519 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.8 t -78.6 -30.5 15.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.1 -20.04 62.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -109.61 -49.93 3.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.789 0.328 . . . . 0.0 111.265 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -88.24 -43.34 11.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.069 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.85 -177.92 16.45 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.573 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -89.88 149.62 22.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.985 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.48 -16.62 59.55 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.769 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.65 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.922 0.391 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.451 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.9 m95 -86.39 -32.93 20.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.79 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.78 -55.9 10.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.571 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.88 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.265 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 470' ' ' TRP . 75.4 mt -56.53 -50.31 73.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.052 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 15.6 t -72.27 -9.05 57.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.368 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -99.02 -11.74 21.22 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.628 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.19 -10.1 9.03 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.9 m-85 -105.87 162.16 20.58 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 120.76 0.315 . . . . 0.0 111.17 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.55 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 67.3 Cg_endo -73.52 51.58 2.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.977 2.451 . . . . 0.0 113.363 -179.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -82.51 150.27 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.695 0.283 . . . . 0.0 110.487 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.89 -69.39 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.36 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -118.98 56.54 0.9 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.803 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -136.44 92.31 2.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -73.06 172.26 11.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.053 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.11 -24.9 67.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.3 t -71.71 -36.84 60.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.026 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.3 mmt -72.91 -42.59 63.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.781 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 12.0 mt -63.9 -31.47 53.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.055 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -28.2 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.39 -29.05 59.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.122 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -54.63 8.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.129 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 18.4 t-105 -57.63 -37.75 73.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -47.36 72.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.01 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 72.1 m -58.55 -29.15 66.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 15.0 ttm -78.77 -46.86 17.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.108 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -74.43 -21.47 59.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.27 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -74.56 -51.01 15.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.839 0.352 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -132.97 85.48 2.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.986 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.46 -68.12 0.23 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.571 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -1.61 40.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.608 0.242 . . . . 0.0 111.401 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.756 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.443 " H2'" ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.608 0 O4'-C1'-C2' 106.742 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.443 " H2'" ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.531 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 106.516 0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.452 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.721 0 O4'-C1'-C2' 106.621 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.487 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.487 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C5'-C4'-O4' 108.723 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.246 0.39 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C1'-O4'-C4' 110.318 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.552 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O5'-C5'-C4' 110.929 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.507 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.452 0.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.507 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.512 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.691 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.572 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.448 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.448 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.906 0 C5'-C4'-O4' 108.812 -0.368 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.297 0.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.179 0.342 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.79 0.329 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -150.02 30.44 0.71 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.97 112.97 2.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.1 t -161.49 -51.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.777 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 10.2 t -127.43 23.27 6.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 m120 62.81 144.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -115.79 -48.13 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.8 161.62 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 447' ' ' LYS . 11.8 ptpt -115.71 -142.6 0.38 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.342 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 446' ' ' LYS . 12.0 tptt -118.19 130.42 56.08 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.864 0.364 . . . . 0.0 111.084 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -130.58 83.14 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.678 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.606 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -63.67 166.29 7.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.06 -179.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 8.9 m95 -68.34 170.38 8.93 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.47 173.61 6.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -79.58 -19.35 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.668 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.97 -45.65 19.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.767 0.317 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.402 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 1.5 mm-40 -67.51 -34.22 76.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.991 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.596 ' O ' HG12 ' A' ' 458' ' ' VAL . 15.8 m -73.87 -30.48 62.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.0 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -65.62 -42.96 90.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.008 0.432 . . . . 0.0 110.528 179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 477' ' ' TYR . 8.2 m0 -68.2 -30.85 70.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 455' ' ' SER . 0.3 OUTLIER -68.18 -27.89 38.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.308 -179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 32.8 mttt -75.04 -40.98 60.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.05 -28.07 29.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.11 -45.34 95.65 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.557 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.442 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.4 t -81.01 -28.61 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 111.175 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -74.5 -19.42 60.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.397 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -106.64 -50.31 3.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.813 0.34 . . . . 0.0 111.154 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -88.32 -43.31 11.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.176 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.442 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.67 -176.45 16.14 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.433 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -90.1 143.08 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.783 0.325 . . . . 0.0 110.893 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -17.65 57.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.733 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.29 70.61 1.75 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.956 0.408 . . . . 0.0 110.749 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.533 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.0 m95 -87.53 -33.23 19.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.043 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.04 -37.07 31.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.509 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -80.61 -40.18 26.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.236 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' A' ' 470' ' ' TRP . 56.8 mt -58.73 -43.48 87.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 33.1 m -76.54 -25.86 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.959 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -83.28 -3.31 57.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.356 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -122.4 -41.84 2.38 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.658 0.266 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.418 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 56.8 m-85 -85.7 163.55 43.55 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.01 56.82 2.55 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.01 2.473 . . . . 0.0 112.627 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.573 ' O ' HG13 ' A' ' 480' ' ' VAL . 10.7 m-85 -90.28 147.07 23.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.905 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.573 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.2 m -159.98 148.67 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.776 0.322 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 51.18 26.71 3.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.848 0.356 . . . . 0.0 111.243 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -138.87 107.36 5.84 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.746 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.8 171.8 14.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.964 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.536 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.11 -20.09 63.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.204 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.466 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 48.1 t -71.59 -45.03 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.126 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -66.69 -40.59 88.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.754 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 484' ' ' ALA . 7.9 mt -59.99 -56.27 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.146 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -20.04 55.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.407 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.65 -61.54 1.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.4 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.437 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -59.97 -28.65 67.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.513 -179.601 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 57.9 t-105 -74.52 -28.95 61.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.974 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -28.95 51.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.035 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 45.6 m -82.47 -29.18 30.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.177 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.07 -31.37 50.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.203 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.47 -22.71 28.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.2 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -40.71 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.791 0.329 . . . . 0.0 111.015 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -143.53 85.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.057 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.49 -71.23 0.21 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.588 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -81.57 0.4 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.631 0.253 . . . . 0.0 111.321 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.809 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.54 " C2'" ' H71' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.78 0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.54 ' H71' " C2'" ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.279 0.414 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.528 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.528 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.1 -0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.474 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.405 0.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.474 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.375 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.455 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.232 0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C3'-C2'-C1' 102.187 -0.366 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C3'-C2'-C1' 102.163 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.513 0 O5'-C5'-C4' 110.925 0.518 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.275 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.401 0.5 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 107.188 0.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.606 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 O4'-C1'-C2' 106.688 0.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C1'-O4'-C4' 110.308 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.589 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.589 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.244 0.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 C1'-O4'-C4' 110.393 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.53 -175.76 4.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.794 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.704 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER 63.11 177.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.991 179.857 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -171.1 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.297 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.33 60.0 5.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.049 0.452 . . . . 0.0 109.936 179.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -43.93 134.88 4.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.659 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 5.7 pt -115.67 88.65 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -143.15 32.01 1.37 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -38.57 4.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.46 ' HA ' ' HE3' ' A' ' 447' ' ' LYS . 0.1 OUTLIER -108.46 82.26 1.59 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.942 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -106.15 82.53 1.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.43 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.624 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -50.69 163.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.472 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m95 -75.15 169.83 17.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.316 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.75 176.77 5.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.523 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.1 m -84.91 -19.5 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.605 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.424 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 15.9 mt-10 -82.97 -44.47 15.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.979 0.419 . . . . 0.0 110.949 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.606 ' O ' HG23 ' A' ' 458' ' ' VAL . 26.9 mt-10 -69.48 -34.44 74.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.197 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 1.4 t -73.2 -26.87 61.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -74.01 -38.12 64.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.479 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.2 m0 -66.2 -34.69 78.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 454' ' ' GLU . 50.3 t -67.0 -42.0 88.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.3 mmtt -56.83 -46.24 81.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -79.87 -28.62 39.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.201 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.85 -44.64 97.58 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.557 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.472 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.8 t -83.87 -27.4 7.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.783 0.325 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -75.71 -20.74 58.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.195 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -104.96 -49.17 3.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.254 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -88.71 -43.49 11.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.001 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.472 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -175.13 16.15 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.632 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -90.05 149.32 22.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 90.41 -13.58 64.92 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.809 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.95 71.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.017 0.437 . . . . 0.0 110.803 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.404 ' HA ' HD12 ' A' ' 473' ' ' ILE . 21.2 m95 -87.42 -33.32 19.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.907 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.08 -55.27 18.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.535 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.04 -41.99 97.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 470' ' ' TRP . 87.4 mt -56.46 -42.53 75.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 5.0 t -83.45 -4.08 58.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.264 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.86 -15.12 19.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.429 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.07 -28.54 6.95 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.443 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 34.4 m-85 -88.9 165.55 26.57 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 0.0 111.319 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -75.34 53.09 3.37 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.256 2.637 . . . . 0.0 113.009 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -86.53 149.4 24.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.677 0.275 . . . . 0.0 110.479 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.6 t -127.64 -69.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.768 0.318 . . . . 0.0 111.181 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -113.58 57.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -139.47 88.76 2.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.28 171.54 8.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.96 67.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.262 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.8 t -70.59 -35.85 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.069 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.8 mmt -73.11 -41.94 63.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 11.2 mt -67.8 -30.65 49.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.74 -39.91 84.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -31.31 70.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.27 -50.11 69.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.0 t-105 -65.61 -37.62 87.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.949 -179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -29.53 69.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.176 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.0 m -85.41 -29.53 24.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.168 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -34.19 63.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.079 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -54.86 4.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.51 -30.64 67.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.338 . . . . 0.0 110.82 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.89 75.07 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.776 179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.45 -66.69 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.469 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.7 mtt -79.89 -4.22 51.36 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.672 0.272 . . . . 0.0 111.01 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.306 -0.855 . . . . 0.0 110.802 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.488 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.602 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.593 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.593 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.499 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.159 -0.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C5'-C4'-O4' 108.803 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C1'-O4'-C4' 110.197 0.355 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.4 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.4 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 C5'-C4'-O4' 108.743 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C3'-C2'-C1' 102.007 -0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.079 -0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C1'-C2' 106.566 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.423 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.506 0 C1'-O4'-C4' 110.367 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C1'-O4'-C4' 110.324 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.439 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 106.694 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.439 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.752 -0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.549 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 107.29 1.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.624 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.675 0.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.449 0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.301 0.429 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.545 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C1'-C2' 106.551 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.545 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.57 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.848 0.356 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -141.08 30.98 1.78 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 11.3 p -148.35 128.11 13.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -152.28 -66.32 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.729 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 9.8 t -123.06 27.9 7.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 61.37 153.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.71 -31.42 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 24.6 m 62.56 84.68 0.14 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -78.85 0.14 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -134.72 -48.24 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.053 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -160.53 42.07 0.18 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.973 0.416 . . . . 0.0 110.82 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.496 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -79.21 169.07 18.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.742 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.446 ' N ' ' CD1' ' A' ' 450' ' ' TRP . 11.3 m0 -87.68 171.87 10.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.877 0.37 . . . . 0.0 110.959 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 453' ' ' GLU . 13.7 t -99.19 -170.55 1.93 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.646 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.54 -19.34 17.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.844 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 451' ' ' THR . 5.0 mt-10 -79.97 -46.96 15.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.096 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.507 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.4 mt-10 -59.79 -43.49 94.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.319 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 25.1 m -74.89 -25.32 58.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.391 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.45 -32.21 64.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.025 0.441 . . . . 0.0 110.722 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.507 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 20.9 m0 -68.87 -51.96 34.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.069 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 9.9 p -60.33 -27.49 39.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.268 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -67.11 -52.94 35.6 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.902 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -76.78 -28.81 55.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -58.04 -47.2 90.61 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.622 HG13 ' C ' ' A' ' 466' ' ' GLY . 26.1 t -77.17 -29.48 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.326 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -69.01 -24.76 64.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.283 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.63 -46.81 4.07 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.335 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -87.69 -44.46 11.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.087 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.622 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.69 -176.22 16.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.531 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -90.06 143.69 26.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 111.019 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 93.37 -14.73 64.6 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.68 1.37 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.03 0.443 . . . . 0.0 110.786 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.52 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.0 m95 -87.92 -33.79 18.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.958 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -46.09 -47.53 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.547 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -71.32 -40.78 70.56 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.231 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 470' ' ' TRP . 66.8 mt -58.09 -36.94 59.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.956 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.6 t -83.68 -15.64 48.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.13 -4.5 54.21 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.439 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -121.51 -43.12 2.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.846 0.355 . . . . 0.0 111.309 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.433 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 62.4 m-85 -80.03 167.11 35.95 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.141 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_exo -75.09 48.8 2.11 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.134 2.556 . . . . 0.0 113.037 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -90.37 90.5 8.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.692 0.282 . . . . 0.0 110.583 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.9 t -80.05 -68.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.718 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -100.13 53.98 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.931 0.396 . . . . 0.0 111.343 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 1.5 tpp180 -141.49 92.02 2.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.76 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.96 170.84 5.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.43 -20.94 66.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.194 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.88 -34.78 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.239 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -75.24 -37.38 61.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.943 0.401 . . . . 0.0 110.8 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.39 -31.75 55.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.076 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.18 -30.33 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.46 -36.31 78.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.05 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.443 ' HD3' ' CZ3' ' A' ' 450' ' ' TRP . 3.1 tpt85 -68.76 -52.42 30.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -64.78 -28.8 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 11.7 ttt-85 -76.31 -31.33 58.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.947 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 88.3 m -72.49 -32.03 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.995 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.0 -28.5 35.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.095 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 4.6 tttt -85.54 -24.09 27.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -80.28 -32.68 38.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.773 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.41 76.24 1.59 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.67 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.33 -67.25 0.22 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 32.7 mtp -79.77 -3.19 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.569 0.224 . . . . 0.0 111.202 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.962 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.434 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 C1'-O4'-C4' 110.502 0.573 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.604 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.604 ' H72' ' C6 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.538 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C1'-O4'-C4' 110.21 0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.479 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-C1' 102.191 -0.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-C1' 102.152 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.542 0.401 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.494 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.949 0.535 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C1'-O4'-C4' 110.351 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.49 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.49 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-C1' 102.14 -0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.493 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 O4'-C1'-C2' 106.63 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.496 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 O4'-C1'-C2' 107.065 0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 C1'-O4'-C4' 110.251 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.456 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 106.696 0.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.456 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.294 0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C5'-C4'-O4' 108.806 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.378 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.816 0.341 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 60.05 59.07 2.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.53 126.59 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.807 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -156.83 -72.5 0.1 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -120.24 29.42 7.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.018 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.9 177.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 3.1 pt -82.75 86.05 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.224 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -157.38 88.85 1.02 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.699 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.9 -111.18 0.16 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.188 -179.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.11 158.85 32.83 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.15 82.98 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.208 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.638 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -81.71 167.22 19.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.141 0.496 . . . . 0.0 111.336 -179.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 13.0 m0 -71.13 170.58 12.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.237 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -90.85 175.33 7.03 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.494 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.72 -17.51 11.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.456 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -86.23 -48.18 8.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.197 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.446 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 18.2 mt-10 -55.21 -38.63 68.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.189 -179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.6 m -68.78 -34.49 75.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.967 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.19 -40.57 94.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.761 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.565 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 14.8 m0 -66.49 -34.23 77.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.956 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.17 -35.89 70.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.229 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -68.88 -44.34 73.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.965 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.5 -27.78 29.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.338 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.91 -45.47 95.6 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.704 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.521 HG13 ' C ' ' A' ' 466' ' ' GLY . 20.1 t -83.26 -27.79 7.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.729 0.299 . . . . 0.0 111.198 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.85 -19.68 61.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.337 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -108.22 -48.94 3.27 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.785 0.326 . . . . 0.0 111.199 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -87.43 -44.23 11.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.966 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.521 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 118.77 -177.88 16.53 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.463 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -89.94 145.34 25.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.848 0.356 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -14.94 63.79 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.896 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -103.35 72.45 1.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.427 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.81 -32.8 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.89 -47.63 80.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.288 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -63.37 -42.85 98.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.253 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' A' ' 470' ' ' TRP . 69.7 mt -56.89 -53.56 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.041 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 28.7 t -67.9 -12.36 60.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.373 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.1 tttm -94.84 -19.07 20.62 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.466 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -112.82 -28.27 7.82 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.692 0.282 . . . . 0.0 111.467 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -97.7 160.39 28.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.243 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.565 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 71.4 Cg_endo -74.28 53.51 3.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.954 2.436 . . . . 0.0 112.703 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.57 ' O ' HG13 ' A' ' 480' ' ' VAL . 0.4 OUTLIER -90.2 145.51 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 0.0 110.965 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.57 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.5 m -160.25 152.43 5.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.827 0.346 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.45 31.72 21.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.027 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.1 mtm-85 -155.07 117.49 4.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.24 174.57 7.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.74 -25.4 62.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.14 -51.31 73.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -39.2 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 23.6 mt -68.34 -28.92 42.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.132 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 5.6 tptt -77.85 -31.33 51.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.05 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -75.97 -29.31 58.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.791 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.92 -52.93 14.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.078 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -60.61 -30.22 69.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.875 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -24.17 50.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.175 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.791 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.1 t -75.55 -30.02 59.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.756 0.313 . . . . 0.0 111.044 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 3.6 mtm -86.78 -34.5 19.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.251 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -81.28 -24.7 37.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -80.45 -41.83 23.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.885 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.07 78.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.945 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 165.52 -67.92 0.2 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.519 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.3 mtt -79.9 -2.97 46.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.558 0.218 . . . . 0.0 111.153 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.535 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 O4'-C1'-C2' 106.755 0.596 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.535 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.252 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.52 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.52 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.223 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.655 0 C1'-O4'-C4' 110.345 0.461 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.442 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.442 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.429 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O4'-C1'-C2' 106.508 0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C4'-C3' 106.049 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-C1' 102.037 -0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.61 0 O5'-C5'-C4' 110.932 0.523 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.426 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 C1'-O4'-C4' 110.391 0.493 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.426 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C5'-C4'-O4' 108.801 -0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.587 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 107.259 1.054 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.638 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.456 0.54 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.48 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.332 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.48 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C1'-O4'-C4' 110.352 0.465 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 106.605 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.951 0.405 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -132.47 38.47 3.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.82 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.18 138.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.86 -64.75 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.783 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.69 16.81 23.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.339 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.578 ' O ' HG23 ' A' ' 444' ' ' ILE . 0.9 OUTLIER 60.67 114.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.827 0.346 . . . . 0.0 111.064 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.578 HG23 ' O ' ' A' ' 443' ' ' ASN . 7.2 pt -160.08 112.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.411 ' HA ' ' OP1' ' B' ' 11' ' ' ' DG' . 0.7 OUTLIER -138.46 90.33 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.012 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.38 98.98 5.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.76 0.314 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.81 102.33 0.79 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.803 179.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -87.4 86.75 7.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.528 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 23.6 mttt -80.09 162.37 24.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.929 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 10.0 m0 -72.87 169.36 16.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.214 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.54 172.95 6.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.614 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.51 -18.87 17.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.688 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -79.12 -46.54 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.942 0.401 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.468 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.6 mm-40 -61.15 -37.86 84.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.058 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 458' ' ' VAL . 22.7 m -72.26 -18.99 61.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.279 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -78.75 -36.72 42.67 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.945 0.402 . . . . 0.0 110.67 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.481 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.7 m0 -69.39 -33.84 73.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.05 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 462' ' ' VAL . 2.4 p -75.64 -30.74 22.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.455 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -63.19 -52.01 64.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.823 0.344 . . . . 0.0 111.013 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.15 -25.72 39.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.68 -34.48 90.05 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.595 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 458' ' ' VAL . 28.2 t -89.51 -32.59 5.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.75 0.309 . . . . 0.0 111.497 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -72.07 -17.46 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.405 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.81 -52.36 2.77 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.846 0.355 . . . . 0.0 111.344 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -87.99 -42.84 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.937 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 120.83 174.43 15.03 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.557 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.44 ' HG2' ' CH2' ' A' ' 470' ' ' TRP . 0.2 OUTLIER -89.83 149.08 22.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 111.115 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.2 -27.06 18.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.556 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -97.48 72.31 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.764 0.316 . . . . 0.0 110.848 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.44 ' CH2' ' HG2' ' A' ' 467' ' ' GLU . 20.4 m95 -86.43 -33.47 20.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.877 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.17 -45.47 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.386 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -69.42 -39.07 78.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.994 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.421 HD12 ' HA ' ' A' ' 470' ' ' TRP . 50.0 mt -66.2 -36.78 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.442 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 50.9 p -71.64 -23.17 61.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -88.96 -13.97 37.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.565 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -109.86 -34.19 6.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.851 0.357 . . . . 0.0 111.532 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.01 161.07 25.46 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.286 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.481 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 59.7 Cg_endo -71.71 52.28 1.67 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.946 2.431 . . . . 0.0 113.006 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 2.1 m-85 -90.24 89.73 7.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.977 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.2 m -109.84 150.8 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.723 0.296 . . . . 0.0 111.231 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.61 28.13 15.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.187 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.39 110.95 6.14 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -82.03 171.82 13.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.797 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.558 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -62.53 -20.99 65.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.309 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 45.1 t -73.93 -41.82 53.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.192 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 22.1 mtt -70.8 -41.6 71.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.066 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.4 mt -61.86 -38.0 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.48 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.58 -20.21 57.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.357 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.49 -40.14 64.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.405 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.438 ' NH1' ' HB2' ' A' ' 490' ' ' ARG . 0.0 OUTLIER -78.87 -28.81 44.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.504 -0.317 . . . . 0.0 111.435 -179.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -79.05 -31.14 44.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.055 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 1.2 ttp85 -77.34 -32.28 55.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.026 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 50.5 m -76.04 -30.72 58.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -29.86 56.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -12.98 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.545 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -81.62 -48.85 11.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.967 0.413 . . . . 0.0 111.055 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.12 84.75 2.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.48 -69.68 0.23 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.387 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 7.7 mtt -88.58 9.85 22.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.631 0.253 . . . . 0.0 111.259 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.879 179.938 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.6 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 O4'-C4'-C3' 106.258 0.658 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.6 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.283 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-O4'-C4' 110.226 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.539 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-C1' 102.169 -0.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.19 0.35 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.708 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.463 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 106.652 0.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.463 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C1'-O4'-C4' 110.198 0.356 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.455 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.52 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.537 ' N1 ' ' C6 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C4'-C3'-C2' 103.739 0.539 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.411 ' OP1' ' HA ' ' A' ' 445' ' ' THR . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.167 0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 C1'-O4'-C4' 110.339 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.47 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.572 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.426 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.504 ' C2 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C5'-C4'-O4' 108.829 -0.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.537 ' C6 ' ' N1 ' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C1'-C2' 107.424 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.528 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C5'-C4'-O4' 108.701 -0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 O4'-C1'-C2' 106.884 0.712 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.611 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.395 0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.611 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.942 0.401 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.48 127.02 43.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.953 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.76 130.73 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.5 -73.85 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.799 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 15.4 t -96.4 -5.82 38.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.358 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 63.3 157.15 0.07 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.912 0.387 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 28.1 mm -97.88 -29.87 3.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.14 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 p 53.88 86.69 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.86 96.34 3.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.015 0.436 . . . . 0.0 110.802 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 12.8 tptt -137.28 134.46 36.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.94 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.79 84.77 2.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.446 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.51 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -78.53 66.05 3.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.47 -179.472 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.407 ' O ' ' O ' ' A' ' 449' ' ' LYS . 4.5 m95 48.65 175.61 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.13 178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.16 168.69 9.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.7 m -83.91 -19.86 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.615 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.61 -43.9 12.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 458' ' ' VAL . 2.0 mm-40 -61.75 -37.19 83.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.085 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 17.7 m -69.95 -26.44 64.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.254 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -71.63 -38.69 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.854 0.359 . . . . 0.0 110.735 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 9.3 m0 -69.1 -31.23 69.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.994 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 454' ' ' GLU . 37.9 t -72.88 -30.11 31.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -72.54 -41.95 65.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.055 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.78 -27.78 33.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.12 -45.9 95.1 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.57 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.528 HG13 ' C ' ' A' ' 466' ' ' GLY . 23.9 t -79.76 -30.55 13.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 0.0 111.123 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -71.88 -19.31 61.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -109.51 -49.94 3.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.817 0.341 . . . . 0.0 111.333 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.39 -43.26 11.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.049 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.528 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.94 -178.15 16.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.527 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.421 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.7 OUTLIER -90.1 143.63 26.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 110.986 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 98.93 -15.85 60.19 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.813 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -102.72 69.92 1.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.505 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.9 m95 -86.59 -33.31 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.803 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.07 -39.59 42.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.557 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -78.82 -40.72 32.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.271 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' TRP . 62.0 mt -57.9 -40.35 75.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.982 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 479' ' ' PHE . 6.3 t -82.0 -20.79 37.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.48 -4.25 57.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.572 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -119.53 -27.47 5.53 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 -179.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 457' ' ' TRP . 28.4 m-85 -95.11 164.68 18.67 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 111.382 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.23 55.92 3.08 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.149 2.566 . . . . 0.0 112.828 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 474' ' ' SER . 39.0 m-85 -84.29 148.89 26.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.731 0.301 . . . . 0.0 110.547 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 14.0 t -112.96 -69.11 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.399 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -131.89 63.88 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.28 90.62 2.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.81 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -64.77 171.4 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.964 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.54 -21.33 66.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.33 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.5 t -69.38 -36.36 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.059 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.8 mtt -73.82 -48.04 34.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.94 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 10.1 mt -58.7 -37.94 68.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.128 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -45.09 94.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.029 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -43.94 77.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.255 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -57.9 -52.26 66.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.033 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 -66.15 -32.42 73.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.6 -23.56 59.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.177 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 97.8 m -81.96 -36.93 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.984 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.07 -25.95 43.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -85.88 -28.43 24.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.226 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -74.65 -35.3 62.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.1 75.0 1.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.56 -66.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.514 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 3.0 mtt -79.92 -3.39 47.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.611 0.243 . . . . 0.0 111.201 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.334 -0.841 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.456 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.641 0 O4'-C1'-C2' 106.721 0.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.608 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.608 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.486 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C3'-C2'-C1' 102.173 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.7 0 C1'-O4'-C4' 110.307 0.433 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.279 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.454 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C1'-O4'-C4' 110.429 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.536 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.536 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C5'-C4'-O4' 108.717 -0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 102.047 -0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 106.582 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.413 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.596 0 O5'-C5'-C4' 110.975 0.554 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.825 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.418 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.382 0.487 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.418 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.792 0.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.51 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C1'-C2' 107.388 1.171 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C1'-O4'-C4' 110.295 0.425 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.561 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.272 0.408 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.561 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-O4'-C4' 110.247 0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.434 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.653 0.263 . . . . 0.0 110.789 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.48 158.53 17.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.814 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 10.9 p -93.66 142.24 27.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 2.2 t -162.23 -50.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . 0.439 HG21 ' OP1' ' B' ' 11' ' ' ' DG' . 1.2 p -86.13 -23.19 26.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 69.51 80.64 0.18 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 11.8 pt 40.24 95.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.268 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 2.0 m 61.84 151.7 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.988 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . 0.41 ' HD3' HG22 ' A' ' 442' ' ' THR . 24.8 tttt -166.37 33.25 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -120.4 138.19 53.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.22 83.79 2.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.526 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.424 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 1.6 pttt -74.43 65.1 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.453 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.41 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.2 174.93 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 115.998 -0.546 . . . . 0.0 112.248 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -108.42 170.64 7.89 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.636 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.2 t -80.9 -28.14 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.085 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -78.16 -51.66 9.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.073 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.503 ' O ' HG23 ' A' ' 458' ' ' VAL . 24.8 mt-10 -56.36 -37.33 69.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.223 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.6 t -71.0 -23.15 62.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -76.62 -36.7 57.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 0.0 110.653 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.589 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 13.7 m0 -67.44 -33.34 74.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.814 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -70.01 -45.66 75.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.296 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -56.37 -46.48 80.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.212 -179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -77.89 -24.64 48.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.2 -37.61 86.95 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.689 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.413 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 17.5 t -84.99 -32.98 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.318 . . . . 0.0 111.265 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -72.95 -17.45 61.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.372 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -107.07 -52.77 2.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.25 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -88.31 -42.4 12.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.132 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.05 -178.13 16.38 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.567 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.08 152.23 21.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.816 0.341 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.33 -16.27 60.24 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.736 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.81 73.46 1.27 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.85 0.357 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.413 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 13.1 m95 -86.44 -32.43 20.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . 0.41 ' HB2' " H3'" ' B' ' 2' ' ' ' DT' . . . -57.16 -50.89 71.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.375 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.64 93.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.096 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . . . . . . . . . 70.0 mt -57.52 -46.58 86.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 55.2 p -77.1 -4.13 42.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.359 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -103.53 -15.01 15.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.757 -0.201 . . . . 0.0 111.414 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -115.01 -19.34 10.95 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.738 0.273 . . . . 0.0 111.738 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 32.0 m-85 -99.19 155.92 36.02 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-O 120.845 0.355 . . . . 0.0 111.474 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.589 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 40.2 Cg_endo -67.33 60.61 0.72 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.888 2.392 . . . . 0.0 112.833 -179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -86.78 150.91 23.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.607 179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.1 t -118.09 -70.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.424 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -125.6 68.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.97 0.414 . . . . 0.0 111.008 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.58 100.97 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -78.16 171.97 14.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -62.71 -22.79 66.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.56 -38.88 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -68.95 -54.86 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.8 mt -54.62 -28.96 20.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.354 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -33.18 64.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.975 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.52 -29.36 63.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.37 -51.58 28.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.086 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 9.2 t-105 -62.7 -36.33 82.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.142 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -39.5 79.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 58.2 m -73.86 -26.87 60.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.263 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.02 -29.17 27.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.093 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -89.38 -20.32 24.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.371 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -86.37 -34.67 20.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.752 0.31 . . . . 0.0 110.868 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.74 78.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.22 -67.74 0.22 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.588 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -2.73 44.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.532 0.206 . . . . 0.0 111.215 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.929 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.519 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.651 0 O4'-C1'-C2' 106.709 0.553 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.519 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 106.514 0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.523 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C5'-C4'-O4' 108.851 -0.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.523 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 102.109 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.357 0.469 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 106.611 0.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.541 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 106.619 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.541 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C5'-C4'-O4' 108.713 -0.429 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.18 0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.439 ' OP1' HG21 ' A' ' 442' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 102.142 -0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.237 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 106.565 0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 O5'-C5'-C4' 110.964 0.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.384 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.438 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.421 0.515 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.438 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C5'-C4'-O4' 108.799 -0.376 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.448 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 O4'-C1'-C2' 106.711 0.556 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.448 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 107.391 1.174 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . 0.4 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.517 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.661 0.51 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.517 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.327 0.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.284 0.417 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.392 0.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.09 30.96 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.05 98.1 6.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.768 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.55 -75.72 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -32.98 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.783 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.45 ' O ' HD12 ' A' ' 444' ' ' ILE . 0.7 OUTLIER 63.7 29.92 14.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.927 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.45 HD12 ' O ' ' A' ' 443' ' ' ASN . 1.6 mp 75.89 -56.25 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.588 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.4 t -94.68 150.66 20.0 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.787 0.327 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -154.25 114.55 3.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -127.35 99.78 5.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.692 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -108.5 78.48 1.16 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.791 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.477 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -60.2 168.74 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.436 ' CZ3' ' HD3' ' A' ' 490' ' ' ARG . 32.0 m0 -93.05 168.62 11.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.39 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.33 -170.83 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.257 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.1 m -79.15 -18.94 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.827 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 7.0 mt-10 -84.25 -44.67 13.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.832 0.348 . . . . 0.0 111.063 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -58.38 -41.86 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.234 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 20.2 m -72.27 -25.64 61.68 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.161 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -75.36 -36.2 61.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 0.0 110.818 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.438 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 26.0 m0 -66.12 -38.87 89.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.977 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.57 ' O ' HG23 ' A' ' 462' ' ' VAL . 80.8 t -72.53 -38.38 59.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.131 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.95 -49.13 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.65 -25.95 35.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.179 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -63.25 -35.43 92.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.561 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.649 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 12.9 t -86.15 -35.75 9.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.893 0.377 . . . . 0.0 111.139 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -73.36 -15.16 61.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.49 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -106.45 -51.11 3.01 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.279 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -88.27 -43.06 11.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 111.063 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 124.11 178.36 15.36 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.565 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.99 150.54 22.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.065 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . 0.458 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 94.84 -19.76 52.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.88 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.32 76.41 1.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.913 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.649 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 7.3 m95 -87.12 -30.98 20.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.013 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.53 -53.98 51.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.378 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -58.01 -43.42 86.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.122 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.583 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.9 mt -59.25 -41.64 84.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 84.2 p -83.14 -0.73 50.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.5 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.12 -12.34 15.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.705 -0.225 . . . . 0.0 111.45 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.6 -17.93 11.02 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.42 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 24.6 m-85 -99.93 165.94 13.67 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.68 54.9 3.61 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 123.011 2.474 . . . . 0.0 112.897 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -90.07 151.1 21.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.752 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.61 -68.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.366 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -125.12 70.58 1.16 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -139.68 92.07 2.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.769 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 172.02 10.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.981 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.72 -21.63 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.371 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.457 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 45.5 t -71.53 -39.35 70.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.289 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 24.4 mtt -70.61 -39.95 73.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.991 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -70.24 -22.83 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.342 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.21 -35.62 58.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.803 0.335 . . . . 0.0 110.781 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.59 -47.42 69.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.653 ' O ' HG22 ' A' ' 493' ' ' THR . 0.4 OUTLIER -57.96 -52.07 67.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.5 t-105 -56.15 -27.49 54.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 5.7 ttt-85 -80.77 -25.91 37.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.653 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.0 OUTLIER -78.63 -28.78 45.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.111 -179.695 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -33.74 23.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.4 -27.15 38.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.971 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.17 -36.11 40.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.17 81.01 1.73 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.802 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.0 -67.05 0.22 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.572 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -2.52 44.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.614 0.245 . . . . 0.0 111.15 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 110.799 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.413 H2'' ' OP2' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.534 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.263 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.534 ' C4 ' ' N3 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 C3'-C2'-C1' 102.114 -0.419 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.531 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.779 -0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C5'-C4'-O4' 108.786 -0.384 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.422 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.655 0.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.554 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.471 0.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.554 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.178 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 102.11 -0.422 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C1'-O4'-C4' 110.431 0.522 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.38 0.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.409 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 O5'-C5'-C4' 110.979 0.557 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.437 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.437 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.212 0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.487 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 O4'-C1'-C2' 106.921 0.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.487 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.449 1.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . 0.403 ' OP2' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.37 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.527 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.387 0.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.527 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C1'-O4'-C4' 110.224 0.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.233 0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 106.625 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.92 0.39 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -110.02 132.15 54.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER -134.47 167.97 19.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.643 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -168.98 -71.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.252 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.82 37.27 1.42 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.721 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 61.6 t-20 -44.88 127.53 6.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.259 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.5 pt -144.16 95.25 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.148 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.1 t -178.19 -172.96 0.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.737 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt 63.64 132.4 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.767 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . 0.416 ' HB2' " H5'" ' B' ' 11' ' ' ' DG' . 0.6 OUTLIER -93.17 117.17 29.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.926 179.708 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 448' ' ' GLN . 0.0 OUTLIER -97.1 121.69 39.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.204 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.594 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -90.04 168.06 12.29 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-O 120.972 0.415 . . . . 0.0 111.408 -179.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.499 ' C ' HG22 ' A' ' 451' ' ' THR . 6.0 m0 -51.75 -84.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.77 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . 0.575 HG23 ' H ' ' A' ' 454' ' ' GLU . 0.6 OUTLIER 161.75 172.94 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.7 t -88.21 -15.29 9.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.313 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.88 -47.36 7.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.408 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.575 ' H ' HG23 ' A' ' 451' ' ' THR . 17.1 tt0 -62.9 -38.82 92.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.269 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.6 m -69.05 -20.57 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.131 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -79.53 -38.27 34.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.589 179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.518 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 24.1 m0 -62.41 -35.8 80.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.866 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 462' ' ' VAL . 91.5 t -69.89 -45.08 78.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.093 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 9.6 mmtt -54.67 -58.85 5.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.232 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -72.25 -28.79 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.301 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -60.7 -44.91 97.36 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.677 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.616 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 15.1 t -83.26 -16.64 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.737 0.304 . . . . 0.0 111.48 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -78.25 -19.55 53.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.618 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.411 ' HD2' ' CE2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -114.95 -30.29 6.44 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 -179.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . 0.411 ' CE2' ' HD2' ' A' ' 464' ' ' LYS . 59.9 m-85 -96.3 -45.99 6.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.937 0.399 . . . . 0.0 111.131 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.508 ' O ' HG13 ' A' ' 462' ' ' VAL . . . 119.51 178.12 16.45 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.328 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -89.2 156.98 18.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 0.0 111.014 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . 0.4 ' HA2' ' P ' ' B' ' 4' ' ' ' DA' . . . 79.09 7.32 88.53 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.865 -0.684 . . . . 0.0 113.025 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -124.2 72.17 1.16 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.995 0.426 . . . . 0.0 110.738 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.616 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 4.5 m95 -87.93 -32.12 19.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.029 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -56.58 -47.74 78.89 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.372 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.2 -48.3 71.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.435 HD12 ' HE3' ' A' ' 470' ' ' TRP . 71.6 mt -57.16 -42.25 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.214 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.0 t -72.35 -17.08 61.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.349 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -95.25 -10.78 29.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.539 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.8 -24.62 9.04 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.569 0.223 . . . . 0.0 111.526 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.412 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 22.8 m-85 -99.69 161.5 24.23 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.928 0.394 . . . . 0.0 111.234 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.482 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.9 Cg_endo -72.33 56.62 2.7 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.905 2.403 . . . . 0.0 112.848 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.471 ' O ' HG13 ' A' ' 480' ' ' VAL . 50.5 m-85 -90.13 151.74 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.798 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.9 m -156.9 147.75 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.042 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.46 27.69 2.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.874 0.368 . . . . 0.0 111.186 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -139.36 122.99 17.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.736 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . 0.441 ' O ' HD12 ' A' ' 487' ' ' ILE . 0.1 OUTLIER -98.5 -174.53 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -65.98 -26.82 67.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.431 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 60.6 t -65.64 -49.28 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.224 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -41.86 87.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.235 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.441 HD12 ' O ' ' A' ' 483' ' ' THR . 6.1 mt -68.75 -25.99 31.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.281 -179.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 11.7 tptt -80.84 -24.54 38.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -71.27 -54.34 11.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.252 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.714 ' O ' HG22 ' A' ' 493' ' ' THR . 1.1 ttp85 -64.09 -38.4 90.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.221 -179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 27.9 t-105 -64.9 -27.22 68.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -26.96 39.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.714 HG22 ' O ' ' A' ' 490' ' ' ARG . 1.2 t -74.89 -28.33 60.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 111.206 -179.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.28 -28.96 23.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.164 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -83.6 -21.56 32.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.326 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.2 -35.19 17.49 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.783 0.325 . . . . 0.0 110.815 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -141.33 82.22 1.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.77 -67.45 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.84 -3.02 46.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.632 0.253 . . . . 0.0 111.288 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.185 -0.912 . . . . 0.0 110.932 179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.507 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 106.868 0.698 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.507 ' H72' ' C8 ' ' B' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C5'-C4'-O4' 108.889 -0.32 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.502 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 102.093 -0.433 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.502 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.245 0.39 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C1'-O4'-C4' 110.222 0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.466 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.433 0.524 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.466 ' H72' ' C8 ' ' B' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C1'-O4'-C4' 110.289 0.421 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.459 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C5'-C4'-O4' 108.823 -0.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 O4'-C4'-C3' 106.168 0.568 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.416 " H5'" ' HB2' ' A' ' 447' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 102.172 -0.377 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.352 0.466 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.448 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O5'-C5'-C4' 110.924 0.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 O4'-C1'-C2' 106.845 0.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.403 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C5'-C4'-O4' 108.848 -0.345 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.531 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 107.123 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.594 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 O4'-C4'-C3' 106.024 0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.504 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.504 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.121 -0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C1'-O4'-C4' 110.359 0.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 106.645 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.806 0.336 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.7 110.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.5 76.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.3 t -167.22 -43.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.55 3.25 37.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.345 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.86 164.05 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.904 0.383 . . . . 0.0 110.828 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.708 ' O ' H5'' ' B' ' 11' ' ' ' DG' . 0.8 OUTLIER -115.68 -28.94 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.93 75.21 1.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.806 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -112.45 -19.54 12.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.973 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.53 105.18 17.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.76 0.314 . . . . 0.0 110.65 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -101.48 122.9 44.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.607 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -90.34 167.19 12.84 Favored 'General case' 0 C--O 1.231 0.1 0 CA-C-O 121.043 0.449 . . . . 0.0 111.432 -179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.657 ' O ' HG23 ' A' ' 451' ' ' THR . 8.3 m0 -57.95 -86.54 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.89 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 450' ' ' TRP . 0.1 OUTLIER 173.28 175.09 0.12 Allowed 'General case' 0 C--O 1.23 0.071 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 -179.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 19.2 t -86.35 -24.69 6.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.222 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -89.54 -50.69 5.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.314 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.449 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 21.5 mt-10 -50.58 -39.39 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.442 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 5.1 m -70.4 -41.55 72.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.151 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -57.69 -35.4 70.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.936 0.398 . . . . 0.0 110.829 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.449 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 42.2 m0 -65.45 -43.78 89.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.082 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.622 ' O ' HG23 ' A' ' 462' ' ' VAL . 96.5 t -67.17 -44.15 87.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.195 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -54.03 -48.25 70.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.11 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.68 39.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.242 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -32.55 84.6 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.524 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.682 HG22 ' HZ3' ' A' ' 470' ' ' TRP . 10.7 t -87.54 -32.38 6.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.124 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -74.67 -18.94 60.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.281 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.1 -51.3 3.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.852 0.358 . . . . 0.0 111.318 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -87.94 -43.15 11.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.001 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . . . . . . . . . . . 121.99 178.8 15.8 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.421 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.99 143.39 26.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 96.88 -16.46 60.94 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.724 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -102.23 72.17 1.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.883 0.373 . . . . 0.0 110.75 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.682 ' HZ3' HG22 ' A' ' 462' ' ' VAL . 9.2 m95 -84.71 -30.91 24.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -54.11 -53.95 46.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.449 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.03 96.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.494 HD12 ' HE3' ' A' ' 470' ' ' TRP . 70.6 mt -58.91 -35.29 55.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.025 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 77.6 p -82.47 -9.68 59.33 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.351 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -102.92 -7.92 21.11 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -117.65 -21.25 8.6 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.431 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 31.0 m-85 -96.55 166.87 13.26 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 120.845 0.355 . . . . 0.0 111.239 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.01 49.93 3.32 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 123.232 2.621 . . . . 0.0 112.935 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -87.72 150.24 23.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.706 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 26.8 t -121.22 -68.47 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.21 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -117.61 68.63 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -142.08 92.48 2.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.746 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.43 172.14 10.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.947 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.03 67.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -68.97 -46.47 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.011 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.6 -31.57 72.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.009 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 28.2 mt -75.96 -28.34 18.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.179 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.63 -28.38 60.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.846 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -73.03 -43.06 62.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 490' ' ' ARG . 1.9 mmm180 -57.72 -50.3 73.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -62.27 -37.75 86.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.951 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -65.83 -31.14 71.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 59.4 m -80.55 -29.89 37.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.21 -29.49 48.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.013 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -86.43 -53.88 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -57.81 -30.86 66.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.6 mp -129.01 73.23 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 161.22 -66.27 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.376 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.2 mtt -80.0 -3.61 49.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.785 0.326 . . . . 0.0 111.157 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.899 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.436 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.57 0 O4'-C1'-C2' 106.761 0.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.5 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.299 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.5 ' C5 ' ' C2 ' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 C3'-C2'-C1' 102.107 -0.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.428 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C3'-C2'-C1' 102.182 -0.37 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C1'-O4'-C4' 110.336 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.416 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 O4'-C1'-C2' 106.616 0.469 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.515 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.282 0.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.515 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.745 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C4'-C3' 106.186 0.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.708 H5'' ' O ' ' A' ' 444' ' ' ILE . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 102.004 -0.497 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C1'-O4'-C4' 110.475 0.553 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.309 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C1'-O4'-C4' 110.406 0.505 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.809 0.645 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C5'-C4'-O4' 108.804 -0.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.115 0.923 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.607 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C1'-O4'-C4' 110.261 0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C1'-O4'-C4' 110.372 0.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C1'-O4'-C4' 110.244 0.388 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.474 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.447 0.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.474 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.215 0.368 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C1'-O4'-C4' 110.316 0.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.888 0.375 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -109.79 115.03 29.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.9 160.21 25.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.55 -55.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.826 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.25 0.75 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.315 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.431 ' O ' HG13 ' A' ' 444' ' ' ILE . 0.8 OUTLIER 63.81 121.64 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.02 179.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 443' ' ' ASN . 7.5 pt 34.41 94.48 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 115.912 -0.585 . . . . 0.0 112.402 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 444' ' ' ILE . 0.8 OUTLIER -158.05 46.85 0.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 12.8 mmtt -143.36 -57.91 0.41 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.04 112.19 25.07 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.263 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.42 78.7 8.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.729 178.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.513 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 3.0 pttt -74.14 75.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.793 -0.64 . . . . 0.0 112.432 -178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.44 ' O ' ' O ' ' A' ' 449' ' ' LYS . 2.1 m0 46.76 176.35 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 178.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.94 166.23 11.4 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.713 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.5 m -73.15 -18.64 18.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.596 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -47.64 32.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.831 0.348 . . . . 0.0 111.06 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.406 ' HB3' ' CZ3' ' A' ' 450' ' ' TRP . 45.9 mt-10 -58.47 -25.87 62.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.217 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.46 ' O ' HG12 ' A' ' 458' ' ' VAL . 28.1 m -76.69 -30.16 56.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.222 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -71.23 -32.02 68.27 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.54 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.3 m0 -78.71 -34.89 45.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.353 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 455' ' ' SER . 1.2 p -70.41 -24.39 25.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.551 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.72 -57.61 3.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.233 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -66.41 -32.5 73.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.339 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -62.0 -58.05 14.51 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.808 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 53.8 t -68.55 -16.3 20.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.636 0.255 . . . . 0.0 111.598 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -77.25 -36.87 54.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.655 0.264 . . . . 0.0 111.664 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.405 ' HG3' ' CD2' ' A' ' 465' ' ' TYR . 0.0 OUTLIER -100.58 -31.14 11.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.815 0.34 . . . . 0.0 111.691 -179.402 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 464' ' ' LYS . 74.6 m-85 -95.4 -45.98 6.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.23 -179.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 115.49 -178.27 17.61 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.454 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -87.39 143.33 27.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.947 0.403 . . . . 0.0 110.963 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.06 -16.36 61.1 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.791 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.54 68.36 1.35 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.92 0.391 . . . . 0.0 110.887 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.713 ' HA ' HD12 ' A' ' 473' ' ' ILE . 12.4 m95 -87.62 -35.03 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.831 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.22 -48.2 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.458 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -66.0 -37.12 85.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.218 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.713 HD12 ' HA ' ' A' ' 470' ' ' TRP . 64.5 mt -60.44 -54.77 30.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.893 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 36.5 m -64.79 -15.64 61.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.33 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 -20.18 23.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.402 -179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -113.68 -22.77 10.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.588 0.232 . . . . 0.0 111.595 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -99.48 160.24 27.97 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-O 120.845 0.355 . . . . 0.0 111.206 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.54 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 65.2 Cg_endo -73.0 54.55 2.67 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.843 2.362 . . . . 0.0 112.769 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.578 ' O ' HG13 ' A' ' 480' ' ' VAL . 2.2 m-85 -90.23 146.25 24.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.641 0.258 . . . . 0.0 110.797 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -159.95 149.22 6.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.152 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.055 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.56 24.69 4.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.204 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -140.27 98.28 3.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.807 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.02 170.89 7.56 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.6 -19.88 65.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.72 -39.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.146 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 7.8 mtt -71.48 -53.65 13.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.029 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 4.7 mt -55.6 -30.15 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.204 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.18 -31.87 61.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.4 -34.02 73.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.96 -54.36 22.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.881 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 28.7 t-105 -62.0 -33.12 73.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.999 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -71.09 -33.31 70.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 81.7 m -74.23 -31.95 62.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.091 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -28.57 50.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.22 -12.46 43.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.37 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 -39.4 16.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.77 0.319 . . . . 0.0 110.834 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.412 HD22 ' OP1' ' C' ' 17' ' ' ' DT' . 0.8 OUTLIER -132.96 80.97 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.857 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 159.54 -68.86 0.26 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.656 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 26.1 mtt -79.92 -1.9 41.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.669 0.271 . . . . 0.0 111.385 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 1.7 t30 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.891 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.454 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.679 0 O4'-C1'-C2' 106.654 0.503 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.493 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.253 0.395 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.744 0 C5'-C4'-O4' 108.79 -0.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.343 0.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C3'-C2'-C1' 102.175 -0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 O4'-C1'-C2' 106.606 0.46 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.549 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.324 0.446 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.549 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.303 0.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C4'-C3' 106.141 0.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C3'-C2'-C1' 101.883 -0.584 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 O4'-C1'-C2' 106.6 0.454 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.431 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.488 0 O5'-C5'-C4' 110.874 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.398 0.499 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.457 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C1'-O4'-C4' 110.448 0.534 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.457 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C5'-C4'-O4' 108.793 -0.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.562 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.84 0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.562 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 106.634 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . 0.482 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . 0.482 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C1'-O4'-C4' 110.262 0.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.454 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 O4'-C1'-C2' 106.635 0.486 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.454 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C1'-O4'-C4' 110.292 0.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.419 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.836 0.35 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.0 110.18 8.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.018 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.29 148.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.042 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.609 HG23 ' H ' ' A' ' 442' ' ' THR . 0.0 OUTLIER -176.56 -73.57 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . 0.609 ' H ' HG23 ' A' ' 441' ' ' THR . 0.2 OUTLIER -90.44 -45.97 8.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.011 0.434 . . . . 0.0 109.913 179.145 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 167.75 148.91 0.02 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.688 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 7.4 pt -132.24 105.6 9.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.993 0.425 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.9 t -136.56 152.02 50.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.02 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -73.62 0.49 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.778 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -145.87 158.38 43.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.629 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -144.99 79.18 1.59 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.747 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.662 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 25.4 ttmt -66.36 145.31 55.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.888 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.412 ' HB2' ' NH2' ' A' ' 490' ' ' ARG . 9.5 m0 -65.02 170.33 4.49 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.238 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.75 174.28 5.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.657 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 33.0 m -76.96 -19.16 14.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.707 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -78.75 -46.25 19.32 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.853 0.358 . . . . 0.0 111.052 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.458 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 3.3 mt-10 -64.54 -30.05 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 10.3 m -75.82 -24.53 55.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.34 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.57 -34.1 58.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.956 0.407 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.458 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 16.1 m0 -70.34 -38.9 74.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.149 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 4.3 p -75.17 -23.7 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.533 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.87 -48.06 55.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.033 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -80.37 -29.15 37.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.82 -48.1 87.73 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.457 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.529 HG13 ' C ' ' A' ' 466' ' ' GLY . 29.4 t -77.87 -29.37 15.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.757 0.313 . . . . 0.0 111.098 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -72.83 -21.15 61.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.114 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.26 -48.27 3.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.206 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -88.19 -44.09 11.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.028 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.529 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.52 -178.36 16.38 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.392 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -87.61 144.91 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.944 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.11 -17.16 59.39 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.697 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.09 68.72 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.102 0.477 . . . . 0.0 110.855 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.685 ' HA ' HD12 ' A' ' 473' ' ' ILE . 20.2 m95 -87.15 -33.74 19.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -53.01 -47.12 68.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.294 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -64.59 -37.35 87.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.685 HD12 ' HA ' ' A' ' 470' ' ' TRP . 41.8 mt -64.27 -44.55 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.904 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.426 ' HA ' ' HB2' ' A' ' 479' ' ' PHE . 70.6 p -74.54 -9.5 58.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.7 tttt -93.4 -18.31 22.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.416 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -114.58 -41.58 3.4 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.23 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -84.92 163.68 45.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.216 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.31 51.44 3.21 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.093 2.528 . . . . 0.0 112.546 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.426 ' HB2' ' HA ' ' A' ' 474' ' ' SER . 0.7 OUTLIER -90.27 86.01 6.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.975 179.763 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 33.1 m -109.94 152.57 11.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.204 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.59 33.47 18.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.911 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -154.73 101.68 2.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.77 171.14 5.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -63.95 -18.29 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.387 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 46.5 t -72.03 -38.07 62.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.203 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 17.6 mtt -70.56 -46.62 63.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.96 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 17.1 mt -59.41 -47.4 90.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.265 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -21.22 66.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.157 -179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -80.32 -27.68 38.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.682 0.277 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.412 ' NH2' ' HB2' ' A' ' 450' ' ' TRP . 0.0 OUTLIER -75.31 -53.1 9.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.147 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 32.9 t-105 -62.87 -31.44 72.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -73.36 -33.78 65.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.081 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.7 m -74.83 -26.59 59.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -28.48 24.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.266 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -88.19 -27.36 21.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -86.56 -29.38 22.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 111.099 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 1.2 mt -135.05 78.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.006 0.431 . . . . 0.0 110.917 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 154.52 -67.9 0.3 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.49 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 17.2 mtt -84.68 3.44 37.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.604 0.24 . . . . 0.0 111.31 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 15.8 p-10 . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.823 179.94 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.432 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 106.806 0.642 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.592 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.32 0.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.592 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C5'-C4'-O4' 108.725 -0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.511 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C1'-O4'-C4' 110.322 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.471 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 C1'-O4'-C4' 110.422 0.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.483 ' N1 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.285 0.418 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.483 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C3'-C2'-C1' 102.202 -0.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 102.089 -0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.319 0.442 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O5'-C5'-C4' 110.962 0.545 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C1'-O4'-C4' 110.347 0.462 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.391 0.494 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.408 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C1'-O4'-C4' 110.235 0.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.464 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.168 0.971 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.662 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 O4'-C1'-C2' 106.842 0.674 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C1'-C2' 106.746 0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.396 0.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.519 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.429 0.52 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.519 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.742 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 110.236 0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.342 0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 106.677 0.524 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.931 0.396 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -115.57 155.93 26.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 441' ' ' THR . 18.0 m -92.44 145.71 24.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 440' ' ' SER . 0.3 OUTLIER -162.18 -58.28 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.956 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 13.8 t -104.42 27.74 7.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.795 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 60.1 158.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.887 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 6.2 pt -141.07 110.22 2.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.8 167.87 19.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.5 128.22 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.937 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 7.7 tptt -88.82 117.84 28.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -81.47 79.25 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.461 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.51 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -76.12 63.37 1.82 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.456 -179.507 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 3.1 m95 49.35 175.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.961 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.46 167.91 9.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.687 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -77.46 -19.1 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.564 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 2.6 mt-10 -78.74 -45.99 19.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.63 ' O ' HG23 ' A' ' 458' ' ' VAL . 14.0 mt-10 -58.28 -38.41 76.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.992 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 m -67.88 -22.87 65.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -34.75 38.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.924 0.393 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.578 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 9.4 m0 -71.98 -33.02 67.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.63 HG23 ' O ' ' A' ' 454' ' ' GLU . 47.2 t -68.9 -47.76 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.273 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -54.1 -48.75 70.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.329 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.47 -21.98 48.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.494 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.89 -38.41 84.95 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.828 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 466' ' ' GLY . 18.6 t -86.46 -35.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.828 0.347 . . . . 0.0 111.476 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -69.93 -16.63 63.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -108.15 -52.69 2.73 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.243 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -88.38 -42.33 12.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.139 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 121.22 -179.25 16.33 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.587 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -89.99 146.69 24.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.932 0.396 . . . . 0.0 111.045 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.06 -15.44 60.97 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.824 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -102.92 69.64 1.05 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.775 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.55 ' HA ' HD12 ' A' ' 473' ' ' ILE . 19.6 m95 -86.63 -33.59 20.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -48.57 -49.53 36.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.566 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.53 -40.9 85.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.342 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.73 -50.0 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 21.1 t -70.6 -15.41 62.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.289 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -90.35 -16.99 28.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.532 -0.303 . . . . 0.0 111.39 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -112.67 -26.08 8.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.484 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.411 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 33.5 m-85 -96.62 155.57 37.66 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.723 0.297 . . . . 0.0 111.305 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.578 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 50.7 Cg_endo -68.41 59.47 1.05 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.818 2.345 . . . . 0.0 112.784 -179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.552 ' O ' HG13 ' A' ' 480' ' ' VAL . 35.1 m-85 -90.04 151.34 21.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.706 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.6 m -159.51 145.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.042 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 50.34 27.08 2.54 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.586 -0.279 . . . . 0.0 111.211 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -140.23 118.74 12.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -96.94 173.55 7.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -58.86 -23.34 60.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.2 t -66.15 -39.91 85.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.06 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.2 mmt -68.35 -51.86 39.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 6.5 mt -56.94 -35.49 47.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -33.48 74.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.0 -39.07 79.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.107 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.596 ' O ' HG22 ' A' ' 493' ' ' THR . 0.0 OUTLIER -71.44 -46.91 58.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.961 -179.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 16.9 t-105 -58.18 -26.27 62.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.01 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.77 -27.11 31.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.068 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.8 OUTLIER -78.89 -28.99 44.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.803 0.335 . . . . 0.0 111.231 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.19 -28.96 25.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -28.72 27.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.926 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -83.88 -29.55 27.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.812 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.21 76.56 1.57 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 162.47 -67.23 0.24 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.524 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.5 mtt -79.83 -3.3 47.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.578 0.227 . . . . 0.0 111.208 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.859 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.445 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.386 0.49 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.512 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 110.242 0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.533 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.269 0.407 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.533 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 C3'-C2'-C1' 102.162 -0.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C1'-O4'-C4' 110.311 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.455 0.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.486 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.326 0.447 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.486 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.703 0 C1'-O4'-C4' 110.258 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C3'-C2'-C1' 102.115 -0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 102.152 -0.391 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C1'-O4'-C4' 110.323 0.445 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.433 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.646 0 O5'-C5'-C4' 110.994 0.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.516 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.413 0.509 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.516 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C5'-C4'-O4' 108.787 -0.383 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.5 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 O4'-C1'-C2' 106.633 0.484 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.51 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.461 1.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C1'-O4'-C4' 110.227 0.376 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C1'-O4'-C4' 110.318 0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.546 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.546 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.746 0 C1'-O4'-C4' 110.273 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C1'-O4'-C4' 110.349 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.77 0.319 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 61.13 44.03 10.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.888 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . 0.7 ' O ' HG23 ' A' ' 441' ' ' THR . 0.4 OUTLIER -152.7 107.22 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.914 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 440' ' ' SER . 0.7 OUTLIER -170.89 -60.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.728 -179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -108.19 33.96 3.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.577 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 66.9 171.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 2.2 pt -64.63 84.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.074 0.464 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -144.56 72.68 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -126.58 -56.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.74 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 17.5 ttmm -96.18 122.44 39.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.579 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -79.86 79.43 6.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.125 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.568 ' HA ' " H4'" ' C' ' 19' ' ' ' DA' . 0.1 OUTLIER -80.33 72.93 7.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.821 -179.148 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.409 ' O ' ' O ' ' A' ' 449' ' ' LYS . 5.4 m95 48.82 175.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.244 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.68 171.82 7.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 28.0 m -84.66 -19.71 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.675 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.79 -45.02 17.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.864 0.364 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 458' ' ' VAL . 4.8 mm-40 -60.81 -33.99 73.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.052 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -63.26 -32.92 74.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.15 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.46 -40.77 89.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.154 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.515 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 7.8 m0 -68.43 -31.0 70.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.084 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 454' ' ' GLU . 38.7 t -73.53 -28.23 24.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.455 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -75.34 -50.36 16.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.23 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.23 -24.43 46.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.363 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -66.31 -52.79 33.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.8 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.536 HG13 ' C ' ' A' ' 466' ' ' GLY . 28.2 t -77.19 -28.11 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.826 0.346 . . . . 0.0 111.47 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -72.7 -19.36 61.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.323 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -109.19 -44.92 3.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.182 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -88.5 -45.16 10.15 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.045 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.536 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 123.07 179.99 15.96 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.575 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.14 147.58 23.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.795 0.331 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.72 -17.16 57.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.904 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.57 70.77 1.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.923 0.392 . . . . 0.0 110.762 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.483 ' HA ' HD12 ' A' ' 473' ' ' ILE . 14.1 m95 -86.94 -34.66 19.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.832 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -51.36 -52.94 41.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.432 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.84 -43.71 98.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.308 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.3 mt -57.56 -49.37 80.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.088 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 26.0 t -70.1 -11.99 61.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.22 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 6.8 tttt -93.6 -18.91 21.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.388 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -111.01 -24.6 10.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.706 0.289 . . . . 0.0 111.431 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -100.98 152.92 37.97 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.691 0.281 . . . . 0.0 111.24 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.515 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 43.0 Cg_endo -67.48 62.89 0.79 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.827 2.351 . . . . 0.0 112.533 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.564 ' O ' HG13 ' A' ' 480' ' ' VAL . 28.5 m-85 -89.95 145.76 24.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.671 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 479' ' ' PHE . 3.9 m -160.18 150.55 5.86 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.796 0.331 . . . . 0.0 111.023 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 53.04 29.35 7.89 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.165 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.1 mtm-85 -149.12 121.76 8.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.84 173.22 7.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.8 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.471 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.12 -24.62 63.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.006 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 49.0 t -70.84 -35.07 58.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.9 mtt -73.74 -52.68 12.41 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.811 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 484' ' ' ALA . 4.1 mt -54.62 -30.73 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.26 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.94 -47.97 67.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.018 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.3 -30.93 68.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.067 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.36 80.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -61.89 -38.89 90.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 492' ' ' ARG . 0.0 OUTLIER -64.19 -39.62 94.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 -179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 73.2 m -73.28 -30.59 63.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.952 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.7 mtm -79.96 -29.76 39.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.997 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 -28.67 42.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.101 -179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -77.56 -33.07 54.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 110.809 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.3 85.22 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.623 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 146.45 -68.95 0.39 Allowed Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.439 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.2 mtp -90.87 19.25 5.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.708 0.289 . . . . 0.0 110.97 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 27.6 p30 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.868 -179.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.465 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 O4'-C1'-C2' 106.725 0.568 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-C1' 102.171 -0.378 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.525 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C5'-C4'-O4' 108.793 -0.38 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C1'-O4'-C4' 110.252 0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C1'-O4'-C4' 110.204 0.36 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C1'-O4'-C4' 110.536 0.597 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.58 " C2'" ' H71' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.74 0 C1'-O4'-C4' 110.283 0.417 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.58 ' H71' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C1'-O4'-C4' 110.519 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C4'-C3' 106.134 0.534 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C3'-C2'-C1' 101.858 -0.602 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-O4'-C4' 110.254 0.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.288 0.42 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.463 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.432 -0.529 0 O5'-C5'-C4' 110.869 0.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.395 0.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.46 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C1'-O4'-C4' 110.468 0.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C1'-O4'-C4' 110.255 0.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.526 ' C6 ' ' C6 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.526 0.818 0 C3'-C2'-C1' 105.254 1.824 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.568 " H4'" ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 101.835 -0.618 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . 0.415 ' C2 ' ' C4 ' ' C' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 C1'-O4'-C4' 110.538 0.599 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . 0.415 ' C4 ' ' C2 ' ' C' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.822 0 C3'-C2'-C1' 102.153 -0.391 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.509 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.3 0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.509 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C1'-O4'-C4' 110.313 0.438 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C1'-O4'-C4' 110.268 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 C1'-O4'-C4' 110.228 0.377 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 O4'-C1'-C2' 106.614 0.467 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -130.09 104.17 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.983 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -157.09 114.72 3.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.08 -48.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -117.93 21.32 12.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.055 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.11 115.44 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.955 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -153.9 117.72 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.943 0.402 . . . . 0.0 111.215 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m 65.19 85.02 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -26.83 19.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -85.21 127.59 34.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.077 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.65 86.07 2.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 179.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.626 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.0 OUTLIER -68.74 167.22 15.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.411 -179.485 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 11.4 m95 -75.86 170.0 17.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.333 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.94 172.96 6.54 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.623 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.8 m -80.32 -19.5 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.774 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.97 -46.41 16.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.475 ' HA ' ' CE3' ' A' ' 457' ' ' TRP . 2.5 mt-10 -64.21 -38.32 90.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.071 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.9 m -66.17 -27.81 68.29 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.215 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -68.93 -42.24 77.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.956 0.408 . . . . 0.0 110.964 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.475 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 10.1 m0 -64.59 -31.16 72.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.023 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.9 t -71.13 -31.54 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.192 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -72.42 -43.61 63.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.152 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -81.37 -30.17 33.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -59.57 -46.13 94.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.735 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -81.65 -26.36 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 111.169 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -69.79 -22.06 63.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.265 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.24 -48.01 3.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.7 0.286 . . . . 0.0 111.333 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -86.56 -42.1 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.943 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.735 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 116.45 -176.16 16.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.586 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.497 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.13 145.5 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.807 0.336 . . . . 0.0 111.019 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 97.08 -21.41 46.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.718 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.61 70.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.854 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.496 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.7 m95 -88.04 -34.24 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.86 -48.77 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.645 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -68.72 -41.46 79.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.295 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 470' ' ' TRP . 70.9 mt -57.22 -40.77 75.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.182 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 7.4 t -81.48 -13.22 58.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.212 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.02 -10.17 34.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.495 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -116.26 -28.44 6.54 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.708 0.29 . . . . 0.0 111.559 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -98.21 157.62 34.14 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-O 120.753 0.311 . . . . 0.0 111.34 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.07 61.28 0.99 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.994 2.463 . . . . 0.0 112.419 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.572 ' O ' HG13 ' A' ' 480' ' ' VAL . 30.7 m-85 -90.03 148.53 23.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.845 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 479' ' ' PHE . 4.6 m -160.15 149.24 6.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.002 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.6 29.95 6.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.094 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -142.92 120.07 11.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.89 172.79 7.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.707 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.565 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -60.2 -24.35 64.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.989 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.1 t -72.47 -37.37 57.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.228 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 23.8 mtt -73.12 -39.15 66.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.945 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.565 HD12 ' HA ' ' A' ' 484' ' ' ALA . 6.5 mt -68.05 -30.74 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -35.42 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -39.88 94.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 490' ' ' ARG . 0.4 OUTLIER -59.74 -53.2 60.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -59.64 -34.86 73.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.45 -30.01 67.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.7 m -76.68 -33.31 58.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.163 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.98 -31.33 44.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.05 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -81.54 -21.7 38.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.167 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.84 -33.13 30.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.839 0.352 . . . . 0.0 110.864 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.11 76.49 1.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.755 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.56 -66.41 0.2 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.428 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 4.1 mtt -79.95 -3.36 47.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.68 0.276 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.281 -0.866 . . . . 0.0 111.032 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.505 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O5'-C5'-C4' 110.983 0.559 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.576 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.844 0 C1'-O4'-C4' 110.272 0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.576 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C1'-O4'-C4' 110.371 0.48 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.532 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C1'-O4'-C4' 110.216 0.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 102.018 -0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.428 ' N1 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.428 ' H72' ' N1 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C1'-O4'-C4' 110.374 0.482 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.817 0 C3'-C2'-C1' 102.016 -0.488 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C5'-C4'-O4' 108.85 -0.343 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C1'-O4'-C4' 110.277 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 O4'-C1'-C2' 106.539 0.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.413 HO5' ' H6 ' ' C' ' 14' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C1'-O4'-C4' 110.371 0.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C1'-O4'-C4' 110.388 0.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.408 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C5'-C4'-O4' 108.758 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.499 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.685 0.704 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.626 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.498 0.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 106.545 0.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 C1'-O4'-C4' 110.269 0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.502 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.502 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C1'-O4'-C4' 110.329 0.45 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-C1' 102.121 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 O4'-C1'-C2' 106.643 0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -98.86 166.49 11.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 30.2 m -81.49 130.09 34.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.954 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.07 -60.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.972 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.08 22.99 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.95 109.5 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.909 0.385 . . . . 0.0 110.992 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.599 ' O ' HD12 ' A' ' 444' ' ' ILE . 1.3 pp -148.84 108.11 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.947 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.1 t -69.41 160.58 31.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . 0.411 ' HG3' ' OP1' ' B' ' 11' ' ' ' DG' . 0.0 OUTLIER 179.43 130.86 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.705 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.63 79.09 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 -179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.46 127.92 41.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.603 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 11.0 pttt -90.01 167.56 12.69 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 121.004 0.43 . . . . 0.0 111.416 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 490' ' ' ARG . 9.2 m95 -65.74 170.03 5.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.351 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 454' ' ' GLU . 14.6 t -115.45 171.23 7.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.617 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 42.5 t -72.73 -24.2 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.903 -179.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.53 -48.8 24.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.173 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.535 ' H ' HG23 ' A' ' 451' ' ' THR . 30.3 mt-10 -57.23 -39.16 74.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.316 -179.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 37.4 m -68.9 -30.95 69.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.2 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -66.53 -38.39 87.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.96 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.522 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 12.6 m0 -68.2 -33.77 75.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . . . . . . . . . 90.0 t -69.85 -44.88 78.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -55.98 -43.54 77.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.078 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -82.94 -27.93 30.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.25 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -61.92 -44.18 98.18 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.601 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.544 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.3 t -82.66 -29.78 8.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 111.247 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -72.23 -18.5 61.83 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -109.17 -50.5 2.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.286 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -88.19 -43.39 11.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.544 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.52 179.58 16.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.553 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.46 ' N ' HG13 ' A' ' 462' ' ' VAL . 1.5 tt0 -90.17 147.23 23.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.994 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . 0.417 ' O ' " H3'" ' B' ' 3' ' ' ' DT' . . . 95.41 -27.64 14.78 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.574 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -98.45 70.86 2.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.772 ' HA ' HD12 ' A' ' 473' ' ' ILE . 8.7 m95 -85.77 -34.84 21.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.647 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -47.36 -49.17 25.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.548 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.09 -35.98 80.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.191 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.772 HD12 ' HA ' ' A' ' 470' ' ' TRP . 53.1 mt -63.38 -51.2 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 23.4 t -70.53 -12.26 61.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.322 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -91.04 -19.67 22.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.83 -22.28 11.63 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.328 -179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 27.8 m-85 -97.08 160.4 29.12 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.869 0.366 . . . . 0.0 111.271 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.522 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 60.0 Cg_endo -71.64 55.55 2.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.923 2.415 . . . . 0.0 112.894 -179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.557 ' O ' HG13 ' A' ' 480' ' ' VAL . 31.3 m-85 -90.33 154.89 19.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.83 0.348 . . . . 0.0 110.903 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.0 m -159.83 145.61 6.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.962 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 49.66 28.3 2.55 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -137.46 119.08 14.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.942 0.401 . . . . 0.0 110.744 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.6 172.51 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.479 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -59.29 -21.61 59.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.195 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 58.5 t -67.5 -46.78 82.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 27.3 mtt -65.63 -47.66 74.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.079 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 484' ' ' ALA . 5.1 mt -59.68 -29.73 43.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.247 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.9 -34.94 74.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.085 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.57 -30.96 67.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.996 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.435 ' HD3' ' CD2' ' A' ' 450' ' ' TRP . 1.2 tpt85 -68.19 -50.85 51.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.2 t-105 -58.89 -36.61 74.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.966 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 -45.99 75.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 63.0 m -68.25 -28.61 67.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.318 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -29.16 31.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.363 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -18.37 27.59 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.382 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -83.78 -39.98 19.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.916 0.388 . . . . 0.0 111.069 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.93 85.72 1.83 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 160.68 -68.64 0.25 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.565 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -1.42 41.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.542 0.21 . . . . 0.0 111.293 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.165 -0.921 . . . . 0.0 110.795 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.512 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 O4'-C1'-C2' 106.784 0.622 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.522 ' N3 ' ' C4 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C1'-O4'-C4' 110.362 0.473 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.536 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.041 -0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.536 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 102.158 -0.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C1'-O4'-C4' 110.274 0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C3'-C2'-C1' 102.247 -0.323 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.451 " C2'" ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 C1'-O4'-C4' 110.219 0.371 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.451 ' H72' " C2'" ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.243 0.388 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.418 H2'' ' OP2' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.765 0 O4'-C4'-C3' 106.005 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.418 ' OP2' H2'' ' B' ' 10' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C1'-C2' 106.602 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.363 0.473 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.669 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 C1'-O4'-C4' 110.26 0.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.422 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.487 0.562 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.422 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C1'-O4'-C4' 110.291 0.422 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.531 H2'' ' OP2' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 O4'-C1'-C2' 107.324 1.113 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.603 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C1'-O4'-C4' 110.399 0.499 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C1'-O4'-C4' 110.337 0.455 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 C1'-O4'-C4' 110.381 0.487 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.514 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.514 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.267 0.405 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.417 0.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.87 0.367 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.48 30.77 2.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.993 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.59 115.8 7.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.7 -71.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.832 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -101.63 27.94 5.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 59.34 103.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.11 110.12 13.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.548 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -79.27 151.62 31.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.959 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.59 33.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.663 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -121.13 140.12 52.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.71 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.28 73.51 1.35 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.7 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.655 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 3.9 ptpt -75.63 168.96 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -77.1 169.66 17.93 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.31 175.4 5.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.739 179.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 32.9 m -80.14 -19.19 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.68 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.24 -45.52 17.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.783 0.325 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 458' ' ' VAL . 3.6 mt-10 -66.58 -36.86 83.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 16.6 m -67.26 -25.33 66.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -74.74 -41.47 60.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.457 ' CE3' ' HA ' ' A' ' 454' ' ' GLU . 13.0 m0 -64.03 -32.22 73.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 454' ' ' GLU . 58.6 t -65.08 -55.28 21.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.149 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -57.86 -29.24 64.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -85.46 -29.86 23.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -68.75 -43.61 74.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.494 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.558 HG13 ' C ' ' A' ' 466' ' ' GLY . 24.9 t -78.97 -30.56 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.713 0.292 . . . . 0.0 111.174 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -70.88 -21.57 62.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.219 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.08 -50.14 3.09 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -87.99 -43.37 11.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.071 -179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.558 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 120.67 -178.8 16.44 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.485 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.478 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.8 OUTLIER -86.76 147.66 25.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.766 0.317 . . . . 0.0 111.154 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 91.9 -16.29 59.78 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.721 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.86 68.48 1.14 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.025 0.441 . . . . 0.0 110.772 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.516 ' HA ' HD12 ' A' ' 473' ' ' ILE . 16.0 m95 -86.65 -34.16 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.781 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -50.08 -47.81 53.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.357 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -67.82 -41.85 82.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.189 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 470' ' ' TRP . 65.4 mt -58.3 -41.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . . . . . . . . . 57.5 p -78.45 -13.26 59.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -93.35 -12.04 30.92 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.496 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -115.38 -29.12 6.64 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.579 0.228 . . . . 0.0 111.487 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.415 ' CD1' ' HB3' ' A' ' 457' ' ' TRP . 41.7 m-85 -94.42 155.82 39.3 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.29 -179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -67.93 61.72 0.94 Allowed 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.921 2.414 . . . . 0.0 112.472 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.558 ' O ' HG13 ' A' ' 480' ' ' VAL . 25.4 m-85 -87.74 149.98 23.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.899 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 479' ' ' PHE . 5.2 m -159.73 150.05 6.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.979 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 51.82 27.4 4.19 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.882 0.372 . . . . 0.0 111.165 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -144.44 137.39 26.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.841 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.38 173.59 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.697 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . 0.547 ' HA ' HD12 ' A' ' 487' ' ' ILE . . . -57.97 -22.98 51.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 61.1 t -70.95 -45.09 74.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -67.54 -39.64 85.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.979 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 484' ' ' ALA . 9.0 mt -66.77 -32.41 57.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.078 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -35.41 75.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.61 -32.17 72.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.953 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.55 -50.53 66.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.8 t-105 -64.75 -34.74 79.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -33.04 71.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.096 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 75.1 m -73.61 -31.33 63.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.03 -29.16 29.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.066 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -85.88 -26.79 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.104 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -77.79 -36.78 50.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.843 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.95 78.18 1.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 164.59 -67.69 0.21 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.513 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -80.06 -2.24 43.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.589 0.233 . . . . 0.0 111.241 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.91 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.434 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.666 0 O4'-C1'-C2' 106.744 0.585 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.521 ' C6 ' ' H72' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C1'-O4'-C4' 110.383 0.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.53 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C1'-O4'-C4' 110.36 0.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.53 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-C1' 102.135 -0.404 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.385 0.489 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.331 0.451 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.47 ' C8 ' ' H72' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C1'-C2' 106.741 0.583 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.499 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C1'-O4'-C4' 110.376 0.483 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C5'-C4'-O4' 108.815 -0.366 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C5'-C4'-O4' 108.694 -0.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 102.015 -0.49 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 C3'-C2'-C1' 102.17 -0.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.55 0.409 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C1'-O4'-C4' 110.516 0.583 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C1'-O4'-C4' 110.305 0.432 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.436 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C1'-O4'-C4' 110.453 0.538 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.436 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.758 0 C1'-O4'-C4' 110.278 0.413 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.488 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 107.395 1.177 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.655 H5'' ' HA ' ' A' ' 449' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C1'-O4'-C4' 110.367 0.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 106.579 0.435 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.538 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C1'-O4'-C4' 110.317 0.441 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.538 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.733 0 C1'-O4'-C4' 110.31 0.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C5'-C4'-O4' 108.747 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 106.734 0.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.765 0.317 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.5 34.47 6.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 1.1 m -152.74 135.39 15.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.972 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 1.5 t -176.8 -50.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.817 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.53 29.37 5.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.809 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 59.23 -174.28 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . . . . . . . . . 8.7 pt -130.11 104.21 9.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.165 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 175.48 7.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.41 -151.09 0.47 Allowed 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -147.81 106.96 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.758 0.313 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -80.1 83.37 6.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.998 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.532 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 0.2 OUTLIER -75.21 64.3 1.43 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.901 -178.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.42 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 47.91 175.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 112.243 178.465 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.59 173.9 6.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.287 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 31.0 m -81.71 -18.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.794 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . 0.436 ' HB3' ' CZ2' ' A' ' 457' ' ' TRP . 1.3 mt-10 -84.24 -43.65 14.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.716 0.293 . . . . 0.0 110.996 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.537 ' O ' HG23 ' A' ' 458' ' ' VAL . 43.2 mt-10 -56.12 -37.96 70.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.245 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 2.2 t -73.28 -27.08 61.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.117 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -72.62 -36.94 68.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.982 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.436 ' CZ2' ' HB3' ' A' ' 453' ' ' GLU . 12.7 m0 -69.32 -35.33 75.86 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.229 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 454' ' ' GLU . 60.9 t -65.93 -50.95 66.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.291 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.66 -38.62 64.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.178 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.299 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.2 -43.18 97.45 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.655 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.643 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.8 t -82.2 -29.75 9.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.872 0.367 . . . . 0.0 111.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -69.78 -20.26 63.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.268 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -109.57 -50.64 2.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -88.68 -42.58 11.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.237 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.643 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 119.65 -179.1 16.63 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.574 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.586 ' N ' HG13 ' A' ' 462' ' ' VAL . 0.5 OUTLIER -90.1 147.45 23.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 110.938 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 92.3 -18.26 54.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.815 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -102.33 66.72 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.989 0.423 . . . . 0.0 110.801 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.57 ' HA ' HD12 ' A' ' 473' ' ' ILE . 17.6 m95 -83.28 -33.72 25.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -45.19 -46.98 12.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.432 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -73.1 -39.7 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.046 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 470' ' ' TRP . 60.7 mt -60.16 -38.27 76.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.447 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 33.8 m -81.39 -16.17 53.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 7.0 tttt -89.78 -11.58 41.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.444 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.7 -30.71 6.7 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.791 0.329 . . . . 0.0 111.35 -179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.409 ' HB2' ' CE2' ' A' ' 479' ' ' PHE . 38.9 m-85 -96.58 167.67 11.81 Favored Pre-proline 0 C--N 1.331 -0.199 0 CA-C-O 120.864 0.364 . . . . 0.0 111.163 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.74 53.89 3.35 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.147 2.565 . . . . 0.0 113.001 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.447 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 62.6 m-85 -90.11 87.68 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.745 0.307 . . . . 0.0 110.525 179.483 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.4 -71.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.681 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.8 52.99 0.92 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.903 0.382 . . . . 0.0 110.89 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.45 113.65 7.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.07 170.46 9.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -60.93 -19.52 60.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.097 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.425 HG11 ' H41' ' C' ' 22' ' ' ' DC' . 48.6 t -70.67 -42.14 77.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.271 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 15.9 mtt -64.65 -54.63 28.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 5.6 mt -52.47 -49.96 41.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.414 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.2 -29.79 65.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.212 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.72 -34.93 67.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . 0.563 ' O ' HG22 ' A' ' 493' ' ' THR . 2.1 ttt85 -76.07 -44.79 37.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 12.4 t-105 -61.59 -27.8 68.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.64 -28.11 30.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.148 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 490' ' ' ARG . 0.7 OUTLIER -76.49 -28.29 56.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.976 -179.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 2.7 mtm -84.18 -30.5 25.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.26 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -85.69 -28.26 24.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -82.05 -32.78 30.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.802 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.21 72.37 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.829 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 167.99 -65.83 0.19 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.48 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 10.6 mtt -79.94 -5.31 55.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.712 0.292 . . . . 0.0 110.924 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.879 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . 0.437 ' C8 ' ' H72' ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.625 0 O4'-C1'-C2' 106.839 0.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.525 ' C2 ' ' C5 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.546 ' C2 ' ' N7 ' ' B' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C5'-C4'-O4' 108.746 -0.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.546 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 102.101 -0.428 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 106.554 0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 110.329 0.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.632 0.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.521 ' C2 ' ' C5 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C1'-O4'-C4' 110.315 0.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.521 ' C5 ' ' C2 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.763 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C3'-C2'-C1' 102.026 -0.481 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 102.026 -0.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C1'-O4'-C4' 110.275 0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C1'-O4'-C4' 110.338 0.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.432 -0.524 0 O5'-C5'-C4' 110.92 0.514 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C1'-O4'-C4' 110.405 0.503 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.504 " C2'" ' H72' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.013 0 C1'-O4'-C4' 110.408 0.506 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.504 ' H72' " C2'" ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C5'-C4'-O4' 108.77 -0.394 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.537 " H1'" " H5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.953 0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.537 " H5'" " H1'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 107.3 1.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C1'-O4'-C4' 110.321 0.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.193 0.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.526 ' C6 ' ' H72' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.333 0.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.526 ' H72' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C1'-O4'-C4' 110.289 0.42 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C1'-O4'-C4' 110.286 0.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C1'-O4'-C4' 110.312 0.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 C1'-O4'-C4' 110.392 0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.733 0.302 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.91 83.02 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.75 119.15 13.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.77 -69.45 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -18.51 29.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.038 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 444' ' ' ILE . 0.3 OUTLIER 69.48 131.28 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.968 179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ILE . . . . . 0.418 ' CB ' ' O ' ' A' ' 443' ' ' ASN . 2.8 mt 85.2 -20.4 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.916 179.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.3 m 61.69 154.04 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.727 0.299 . . . . 0.0 110.561 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.53 -52.25 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.635 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' LYS . . . . . . . . . . . . . 11.8 tptm -130.06 135.55 48.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.099 0.476 . . . . 0.0 111.561 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.39 120.95 20.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.023 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.464 ' HA ' H5'' ' C' ' 19' ' ' ' DA' . 35.0 pttt -90.17 58.98 4.29 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 120.826 0.346 . . . . 0.0 111.838 -179.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' TRP . . . . . 0.419 ' O ' ' O ' ' A' ' 449' ' ' LYS . 3.0 m95 48.49 175.92 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.152 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.92 172.0 7.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.539 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.83 -19.13 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.576 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -80.34 -45.02 18.49 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.787 0.327 . . . . 0.0 111.0 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.54 ' O ' HG23 ' A' ' 458' ' ' VAL . 19.1 mt-10 -58.16 -35.07 71.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.075 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 24.0 m -68.75 -24.71 64.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.84 -31.44 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.977 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CZ2' ' HG2' ' A' ' 478' ' ' PRO . 17.8 m0 -72.63 -36.82 68.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 454' ' ' GLU . 43.7 t -69.29 -44.05 80.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.27 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -55.52 -46.98 76.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.315 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ALA . . . . . . . . . . . . . . . -78.17 -23.45 47.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.513 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLY . . . . . . . . . . . . . . . -64.74 -40.18 97.22 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.741 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' VAL . . . . . 0.484 HG13 ' C ' ' A' ' 466' ' ' GLY . 21.2 t -82.96 -34.75 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.91 0.386 . . . . 0.0 111.286 -179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -69.87 -16.79 63.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.28 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 11.3 mttt -110.18 -53.19 2.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.698 0.285 . . . . 0.0 111.31 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.19 -42.42 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.099 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' GLY . . . . . 0.484 ' C ' HG13 ' A' ' 462' ' ' VAL . . . 122.06 179.71 16.01 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.548 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 462' ' ' VAL . 2.5 tt0 -89.94 146.19 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' GLY . . . . . . . . . . . . . . . 94.24 -16.4 61.08 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.671 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -103.14 70.8 1.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.93 0.395 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' TRP . . . . . 0.528 ' HA ' HD12 ' A' ' 473' ' ' ILE . 18.6 m95 -83.75 -32.35 25.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ALA . . . . . . . . . . . . . . . -49.98 -54.18 21.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.593 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ALA . . . . . . . . . . . . . . . -62.83 -42.62 99.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.26 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 470' ' ' TRP . 68.4 mt -56.99 -46.25 83.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.969 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' SER . . . . . 0.419 ' HA ' ' CD2' ' A' ' 479' ' ' PHE . 11.5 t -76.69 -8.39 57.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.305 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -99.78 -12.91 19.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.573 0.225 . . . . 0.0 111.513 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -115.82 -20.5 10.01 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -179.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 457' ' ' TRP . 31.8 m-85 -98.09 159.12 31.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.796 0.332 . . . . 0.0 111.447 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' PRO . . . . . 0.584 ' HG2' ' CZ2' ' A' ' 457' ' ' TRP . 55.4 Cg_endo -69.81 57.21 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.014 2.476 . . . . 0.0 112.997 -179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 474' ' ' SER . 37.8 m-85 -86.27 149.03 25.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.545 179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.1 -69.5 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.828 0.347 . . . . 0.0 111.318 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -131.55 62.35 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.01 0.433 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' ARG . . . . . . . . . . . . . 17.8 mmt180 -131.06 87.05 2.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.32 170.31 2.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' ALA . . . . . . . . . . . . . . . -64.62 -22.0 66.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 47.8 t -69.78 -39.78 78.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' MET . . . . . . . . . . . . . 3.4 mtt -67.34 -53.03 33.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.894 0.378 . . . . 0.0 110.809 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' ILE . . . . . . . . . . . . . 7.2 mt -54.61 -34.87 30.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.228 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -66.62 -35.6 80.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -48.74 74.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.032 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -52.3 65.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.109 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' TRP . . . . . . . . . . . . . 7.8 t-105 -58.32 -41.38 84.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.28 -48.51 79.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' THR . . . . . . . . . . . . . 87.1 m -62.31 -29.61 70.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.202 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -81.47 -29.62 33.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.264 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -89.96 -11.93 40.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.551 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -90.16 -37.78 13.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.82 0.343 . . . . 0.0 110.834 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.74 75.07 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.765 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' GLY . . . . . . . . . . . . . . . 166.84 -66.87 0.19 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.5 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' MET . . . . . . . . . . . . . 1.4 mtt -79.84 -4.32 51.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.724 0.297 . . . . 0.0 111.157 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.847 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.588 0 O4'-C1'-C2' 106.748 0.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' DT' . . . . . 0.57 " C2'" ' H71' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 C1'-O4'-C4' 110.36 0.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.57 ' H71' " C2'" ' B' ' 2' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C1'-O4'-C4' 110.239 0.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' DA' . . . . . 0.527 ' N7 ' ' C2 ' ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C1'-O4'-C4' 110.256 0.397 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 106.554 0.412 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C1'-O4'-C4' 110.35 0.464 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 O4'-C1'-C2' 106.831 0.665 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ' DT' . . . . . 0.545 ' C6 ' ' H72' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C1'-O4'-C4' 110.257 0.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.545 ' H72' ' C6 ' ' B' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C1'-O4'-C4' 110.276 0.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C5'-C4'-O4' 108.82 -0.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 102.085 -0.439 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C1'-O4'-C4' 110.225 0.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C1'-O4'-C4' 110.368 0.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.656 0 O5'-C5'-C4' 110.945 0.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C1'-O4'-C4' 110.265 0.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.46 H2'' ' OP2' ' C' ' 17' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 110.366 0.476 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ' DT' . . . . . 0.46 ' OP2' H2'' ' C' ' 16' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C4'-C3' 106.067 0.467 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.704 H2'' " O5'" ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C3'-C2'-C1' 105.649 2.107 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.704 " O5'" H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C4'-C3'-C2' 102.799 -0.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 C1'-O4'-C4' 110.25 0.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C1'-O4'-C4' 110.298 0.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.434 " C2'" ' H71' ' C' ' 23' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 O4'-C1'-C2' 106.673 0.521 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ' DT' . . . . . 0.434 ' H71' " C2'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C5'-C4'-O4' 108.852 -0.342 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.307 0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C1'-O4'-C4' 110.27 0.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C1'-O4'-C4' 110.379 0.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_