data_1nha_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 1nha _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.46 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 71.3 m80 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.415 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.447 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.447 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 75.2 m80 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 477' ' ' PHE . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 473' ' ' LEU . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 493' ' ' LEU . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 477' ' ' PHE . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.436 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.42 HG22 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.428 HD12 HG21 ' A' ' 507' ' ' ILE . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.436 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 66.6 m80 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.42 ' CE2' HG22 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.408 HG12 ' CZ ' ' A' ' 477' ' ' PHE . 24.9 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.32 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.434 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 454' ' ' VAL . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.451 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 469' ' ' THR . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.409 HG21 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.409 ' CE2' HG21 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.435 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.435 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.786 0.327 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.416 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.416 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 70.3 m80 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 491' ' ' ASN . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.413 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.42 ' CD2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.42 ' HE2' ' CD2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 504' ' ' ARG . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 477' ' ' PHE . 3.6 m . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . 0.403 ' CG ' ' CD2' ' A' ' 500' ' ' LEU . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.409 ' CD1' HG11 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.403 ' CD2' ' CG ' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.408 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.859 0.361 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' THR . . . . . 0.43 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.42 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.42 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.413 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.413 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.417 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . 0.475 ' N ' ' CG1' ' A' ' 492' ' ' VAL . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 12.0 t-20 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 477' ' ' PHE . 18.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.9 0.381 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.423 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.423 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.467 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 74.1 m80 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.329 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 482' ' ' THR . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 507' ' ' ILE . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . 0.412 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 507' ' ' ILE . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' TYR . . . . . 0.422 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' THR . . . . . 0.416 HG21 ' CD2' ' A' ' 512' ' ' HIS . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' LYS . . . . . 0.422 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' HIS . . . . . 0.416 ' CD2' HG21 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.68 132.99 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -128.62 159.63 34.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.05 130.87 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.453 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.46 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.453 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 71.3 m80 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.415 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.3 t -116.33 134.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -119.5 156.75 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.94 134.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.447 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.447 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 75.2 m80 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.32 145.46 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -118.89 154.69 32.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.78 130.94 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . 0.411 ' O ' ' CD2' ' A' ' 477' ' ' PHE . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.411 ' CD2' ' O ' ' A' ' 473' ' ' LEU . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.8 p -108.33 139.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.57 164.37 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.1 t -84.59 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.417 ' CE2' HD21 ' A' ' 493' ' ' LEU . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.417 HD21 ' CE2' ' A' ' 477' ' ' PHE . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.806 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.4 135.33 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -113.19 147.15 38.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m -65.85 137.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.436 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.42 HG22 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.428 HD12 HG21 ' A' ' 507' ' ' ILE . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.436 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 66.6 m80 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.42 ' CE2' HG22 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.813 0.339 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 26.4 t -116.21 135.95 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -114.45 161.93 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.408 HG12 ' CZ ' ' A' ' 477' ' ' PHE . 24.9 t -99.06 133.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.406 HG21 ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.434 ' CG2' ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 454' ' ' VAL . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.451 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.451 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.406 ' CD2' HG21 ' A' ' 469' ' ' THR . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.434 ' CE1' ' CG2' ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.328 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.23 140.09 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -140.36 163.51 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.31 130.97 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.409 HG21 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.468 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.423 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.423 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.409 ' CE2' HG21 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.61 135.48 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.27 149.52 32.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 4.6 m -64.01 137.06 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.435 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.445 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.445 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.426 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.435 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.72 139.12 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -141.92 165.08 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.13 134.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.414 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.414 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.416 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.416 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 70.3 m80 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.9 136.03 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -112.99 161.03 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -98.29 136.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 491' ' ' ASN . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.461 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.413 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.0 p -106.63 136.8 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -141.98 168.04 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t -98.99 134.02 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.42 ' CD2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.42 ' HE2' ' CD2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . . . . . . . . . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.418 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 504' ' ' ARG . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.83 0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.7 t -116.1 133.05 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.01 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -111.09 135.01 51.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.403 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.4 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.6 p -107.61 141.24 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -107.23 164.11 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.409 HG11 ' CD1' ' A' ' 477' ' ' PHE . 3.6 m -59.25 133.49 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . 0.403 ' CG ' ' CD2' ' A' ' 500' ' ' LEU . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.409 ' CD1' HG11 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.403 ' CD2' ' CG ' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . 0.408 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.408 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 25.1 t -117.34 135.55 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -115.92 159.19 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.5 135.56 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' THR . . . . . 0.43 ' CG2' ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.42 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.42 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' CG2' ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.8 p -107.31 140.57 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -112.22 155.03 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t -63.78 137.43 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.413 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.413 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.411 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.417 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.845 0.355 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -114.42 135.38 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -119.02 158.57 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -110.93 136.79 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . 0.475 ' N ' ' CG1' ' A' ' 492' ' ' VAL . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 12.0 t-20 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.413 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.67 163.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -61.72 159.37 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 477' ' ' PHE . 18.6 t -56.7 130.24 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.321 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.423 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.423 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CE2' HG21 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . 0.412 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.467 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.424 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 74.1 m80 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.783 0.325 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 24.4 t -115.21 134.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -130.83 162.0 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.2 t -98.68 136.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.038 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.414 ' CZ ' HG23 ' A' ' 482' ' ' THR . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' THR . . . . . 0.414 HG23 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 507' ' ' ILE . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.8 0.333 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.47 135.4 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -104.08 143.96 32.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . 0.412 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t -61.98 135.47 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . 0.412 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . 0.454 HD12 HG21 ' A' ' 507' ' ' ILE . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.53 133.33 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -110.18 141.74 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.87 132.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' TYR . . . . . 0.422 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' THR . . . . . 0.416 HG21 ' CD2' ' A' ' 512' ' ' HIS . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' LYS . . . . . 0.422 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' HIS . . . . . 0.416 ' CD2' HG21 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.575 ' C ' HD11 ' A' ' 496' ' ' ILE . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.576 ' N ' HD11 ' A' ' 496' ' ' ILE . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 473' ' ' LEU . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 515' ' ' LEU . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 513' ' ' PHE . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 460' ' ' ARG . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 511' ' ' MET . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.865 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 459' ' ' VAL . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 459' ' ' VAL . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 486' ' ' SER . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.576 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 473' ' ' LEU . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' A' ' 515' ' ' LEU . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.536 ' HA ' HD21 ' A' ' 515' ' ' LEU . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 469' ' ' THR . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 460' ' ' ARG . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 500' ' ' LEU . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 515' ' ' LEU . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.54 HG23 ' HE2' ' A' ' 513' ' ' PHE . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' THR . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 490' ' ' VAL . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.63 ' HG3' HG22 ' A' ' 479' ' ' THR . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.63 HG22 ' HG3' ' A' ' 478' ' ' GLN . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 474' ' ' LEU . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 456' ' ' GLU . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 94.5 m-70 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.54 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 463' ' ' LEU . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 496' ' ' ILE . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.527 ' H ' HG22 ' A' ' 455' ' ' THR . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 515' ' ' LEU . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB2' HD12 ' A' ' 515' ' ' LEU . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 469' ' ' THR . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 497' ' ' LEU . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.806 ' O ' HG21 ' A' ' 482' ' ' THR . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 482' ' ' THR . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.806 HG21 ' O ' ' A' ' 477' ' ' PHE . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 488' ' ' GLN . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 484' ' ' LEU . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 486' ' ' SER . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 473' ' ' LEU . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 515' ' ' LEU . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 460' ' ' ARG . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.545 HG12 HD13 ' A' ' 496' ' ' ILE . 23.1 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 457' ' ' ASP . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 455' ' ' THR . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 464' ' ' THR . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 511' ' ' MET . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.692 HG23 ' HE1' ' A' ' 513' ' ' PHE . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.614 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.614 HG23 ' HG3' ' A' ' 478' ' ' GLN . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 492' ' ' VAL . 41.5 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 493' ' ' LEU . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 486' ' ' SER . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 489' ' ' THR . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.545 HD13 HG12 ' A' ' 454' ' ' VAL . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 515' ' ' LEU . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 469' ' ' THR . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.692 ' HE1' HG23 ' A' ' 470' ' ' THR . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 500' ' ' LEU . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 455' ' ' THR . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 473' ' ' LEU . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.826 ' O ' HG23 ' A' ' 464' ' ' THR . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.553 ' HB3' ' HE2' ' A' ' 468' ' ' MET . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 460' ' ' ARG . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.553 ' HE2' ' HB3' ' A' ' 462' ' ' TYR . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 511' ' ' MET . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.864 HG23 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 459' ' ' VAL . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 490' ' ' VAL . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 474' ' ' LEU . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 515' ' ' LEU . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.636 ' O ' HG22 ' A' ' 469' ' ' THR . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 92.4 m-70 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.864 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 496' ' ' ILE . 24.9 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.32 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.695 ' C ' HD11 ' A' ' 496' ' ' ILE . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.829 ' HB3' HD21 ' A' ' 500' ' ' LEU . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.62 HG11 HD23 ' A' ' 497' ' ' LEU . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.577 HG22 ' OE2' ' A' ' 517' ' ' GLU . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.766 HG21 ' HE3' ' A' ' 510' ' ' LYS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 489' ' ' THR . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.693 HG22 HD12 ' A' ' 474' ' ' LEU . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 491' ' ' ASN . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.695 HD11 ' C ' ' A' ' 455' ' ' THR . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.62 HD23 HG11 ' A' ' 459' ' ' VAL . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 456' ' ' GLU . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.766 ' HE3' HG21 ' A' ' 469' ' ' THR . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 517' ' ' GLU . . . . . 0.577 ' OE2' HG22 ' A' ' 464' ' ' THR . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.727 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.515 ' HG2' HD11 ' A' ' 500' ' ' LEU . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 513' ' ' PHE . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.424 ' HE3' HD23 ' A' ' 473' ' ' LEU . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 511' ' ' MET . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.607 ' HB2' HD11 ' A' ' 493' ' ' LEU . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 474' ' ' LEU . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 473' ' ' LEU . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.727 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 470' ' ' THR . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 500' ' ' LEU . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 469' ' ' THR . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 492' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 460' ' ' ARG . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.732 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 511' ' ' MET . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.946 HG23 ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.406 ' CD1' HD21 ' A' ' 497' ' ' LEU . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 490' ' ' VAL . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 479' ' ' THR . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 490' ' ' VAL . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 486' ' ' SER . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 493' ' ' LEU . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.534 HD21 ' HG2' ' A' ' 456' ' ' GLU . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.747 ' O ' HG22 ' A' ' 469' ' ' THR . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.946 ' CE2' HG23 ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 460' ' ' ARG . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 496' ' ' ILE . 22.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.786 0.327 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.525 ' C ' HD11 ' A' ' 496' ' ' ILE . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.585 ' HB3' HD21 ' A' ' 500' ' ' LEU . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.695 HG12 ' CD1' ' A' ' 463' ' ' LEU . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 464' ' ' THR . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.695 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 460' ' ' ARG . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 473' ' ' LEU . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.766 ' HB3' HD11 ' A' ' 493' ' ' LEU . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.775 HD23 HD13 ' A' ' 493' ' ' LEU . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 481' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 482' ' ' THR . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 481' ' ' LYS . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 492' ' ' VAL . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.708 HG22 ' CD1' ' A' ' 474' ' ' LEU . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.435 HG21 HD13 ' A' ' 484' ' ' LEU . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.775 HD13 HD23 ' A' ' 474' ' ' LEU . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 455' ' ' THR . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 493' ' ' LEU . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 456' ' ' GLU . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.418 ' HB3' HD23 ' A' ' 463' ' ' LEU . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 457' ' ' ASP . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 455' ' ' THR . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 497' ' ' LEU . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 464' ' ' THR . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 513' ' ' PHE . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 460' ' ' ARG . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 511' ' ' MET . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.806 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.612 HD11 ' CA ' ' A' ' 490' ' ' VAL . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.838 ' HG2' HG23 ' A' ' 479' ' ' THR . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.838 HG23 ' HG2' ' A' ' 478' ' ' GLN . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 492' ' ' VAL . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 493' ' ' LEU . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.612 ' CA ' HD11 ' A' ' 474' ' ' LEU . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 459' ' ' VAL . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 515' ' ' LEU . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 469' ' ' THR . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.806 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.815 ' CD1' HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.657 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.67 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 515' ' ' LEU . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 515' ' ' LEU . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.824 ' CE ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 511' ' ' MET . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.637 HG23 ' HE2' ' A' ' 513' ' ' PHE . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 468' ' ' MET . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.805 HD11 HG22 ' A' ' 490' ' ' VAL . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 479' ' ' THR . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 478' ' ' GLN . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.75 ' HB ' HD23 ' A' ' 484' ' ' LEU . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 493' ' ' LEU . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.805 HG22 HD11 ' A' ' 474' ' ' LEU . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 473' ' ' LEU . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 515' ' ' LEU . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 469' ' ' THR . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.637 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.756 ' CD2' HD21 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.721 ' HG3' HD22 ' A' ' 515' ' ' LEU . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.421 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 513' ' ' PHE . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 472' ' ' ASP . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.723 HG23 ' HE2' ' A' ' 513' ' ' PHE . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 469' ' ' THR . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.421 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 493' ' ' LEU . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 486' ' ' SER . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 489' ' ' THR . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.45 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.721 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.483 HG12 ' CE1' ' A' ' 477' ' ' PHE . 3.6 m . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.767 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 500' ' ' LEU . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.506 ' HG3' HD13 ' A' ' 515' ' ' LEU . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.452 HG21 ' HG3' ' A' ' 517' ' ' GLU . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.407 ' HE3' HD23 ' A' ' 473' ' ' LEU . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' A' ' 493' ' ' LEU . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 474' ' ' LEU . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.483 ' CE1' HG12 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 486' ' ' SER . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.767 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 510' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.431 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' A' ' 464' ' ' THR . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.859 0.361 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 457' ' ' ASP . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 455' ' ' THR . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 464' ' ' THR . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 515' ' ' LEU . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 460' ' ' ARG . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 511' ' ' MET . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.937 HG23 ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 493' ' ' LEU . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 493' ' ' LEU . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 477' ' ' PHE . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 490' ' ' VAL . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 474' ' ' LEU . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 474' ' ' LEU . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.669 HD13 HG22 ' A' ' 470' ' ' THR . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 515' ' ' LEU . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.816 ' O ' HG22 ' A' ' 469' ' ' THR . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.937 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.808 HD11 HD21 ' A' ' 500' ' ' LEU . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 500' ' ' LEU . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.492 ' H ' HG22 ' A' ' 455' ' ' THR . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.63 ' HG3' HD13 ' A' ' 515' ' ' LEU . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 502' ' ' PRO . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.697 HG22 HD13 ' A' ' 497' ' ' LEU . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.529 ' H ' HG23 ' A' ' 469' ' ' THR . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.507 HD23 ' HE3' ' A' ' 476' ' ' LYS . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.757 HD21 HG22 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' A' ' 473' ' ' LEU . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.757 HG22 HD21 ' A' ' 474' ' ' LEU . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.697 HD13 HG22 ' A' ' 470' ' ' THR . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 456' ' ' GLU . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.841 ' HB3' HD12 ' A' ' 515' ' ' LEU . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.728 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.784 ' H ' HG23 ' A' ' 455' ' ' THR . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 463' ' ' LEU . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 464' ' ' THR . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 476' ' ' LYS . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 515' ' ' LEU . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 460' ' ' ARG . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 468' ' ' MET . . . . . 0.413 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 472' ' ' ASP . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 472' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 469' ' ' THR . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 493' ' ' LEU . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 462' ' ' TYR . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.728 HD11 ' N ' ' A' ' 456' ' ' GLU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 515' ' ' LEU . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 2.0 t30 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.922 HD11 HD21 ' A' ' 500' ' ' LEU . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.744 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 18.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.9 0.381 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 459' ' ' VAL . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 500' ' ' LEU . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 497' ' ' LEU . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.584 ' HG3' HD13 ' A' ' 515' ' ' LEU . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 513' ' ' PHE . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 460' ' ' ARG . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.585 HG23 ' HE2' ' A' ' 513' ' ' PHE . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 479' ' ' THR . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 478' ' ' GLN . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 480' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.852 ' CD2' HG11 ' A' ' 459' ' ' VAL . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.69 HD21 ' O ' ' A' ' 456' ' ' GLU . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.585 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.584 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.729 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 23.2 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.329 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.762 ' OE2' HD13 ' A' ' 500' ' ' LEU . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 497' ' ' LEU . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.822 ' HG3' HD22 ' A' ' 515' ' ' LEU . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.718 HG23 ' HE2' ' A' ' 513' ' ' PHE . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.601 ' HB3' HD11 ' A' ' 493' ' ' LEU . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 470' ' ' THR . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.729 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 482' ' ' THR . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 482' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 486' ' ' SER . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 473' ' ' LEU . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.601 HD21 HG11 ' A' ' 459' ' ' VAL . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.762 HD13 ' OE2' ' A' ' 456' ' ' GLU . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 515' ' ' LEU . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.3 m120 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.718 ' HE2' HG23 ' A' ' 470' ' ' THR . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 454' ' ' VAL . . . . . 0.737 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 500' ' ' LEU . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.648 ' HG3' HD13 ' A' ' 515' ' ' LEU . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 511' ' ' MET . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.666 HG23 ' HE2' ' A' ' 513' ' ' PHE . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.558 HD13 HD22 ' A' ' 493' ' ' LEU . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.662 HD21 HG22 ' A' ' 490' ' ' VAL . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 477' ' ' PHE . . . . . 0.737 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 489' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 477' ' ' PHE . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.662 HG22 HD21 ' A' ' 474' ' ' LEU . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.558 HD22 HD13 ' A' ' 473' ' ' LEU . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 473' ' ' LEU . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 456' ' ' GLU . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 511' ' ' MET . . . . . 0.41 ' O ' HG22 ' A' ' 469' ' ' THR . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 470' ' ' THR . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 455' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 459' ' ' VAL . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 455' ' ' THR . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 456' ' ' GLU . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 513' ' ' PHE . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 469' ' ' THR . . . . . 0.761 ' O ' HD12 ' A' ' 473' ' ' LEU . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' THR . . . . . 0.528 ' HA ' HD13 ' A' ' 473' ' ' LEU . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 473' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 469' ' ' THR . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 474' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 474' ' ' LEU . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 476' ' ' LYS . . . . . 0.445 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 484' ' ' LEU . . . . . 0.731 HD11 ' CB ' ' A' ' 488' ' ' GLN . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 486' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 490' ' ' VAL . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' GLN . . . . . 0.731 ' CB ' HD11 ' A' ' 484' ' ' LEU . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 486' ' ' SER . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 492' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' LEU . . . . . 0.413 HD21 HD11 ' A' ' 497' ' ' LEU . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 515' ' ' LEU . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 502' ' ' PRO . . . . . 0.503 ' HB3' HD11 ' A' ' 515' ' ' LEU . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 512' ' ' HIS . . . . . 0.662 ' CD2' HG22 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 513' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 463' ' ' LEU . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 500' ' ' LEU . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.68 132.99 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -128.62 159.63 34.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.05 130.87 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.575 ' C ' HD11 ' A' ' 496' ' ' ILE . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.576 ' N ' HD11 ' A' ' 496' ' ' ILE . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 473' ' ' LEU . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 515' ' ' LEU . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 513' ' ' PHE . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 460' ' ' ARG . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 511' ' ' MET . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.865 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 459' ' ' VAL . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 459' ' ' VAL . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 486' ' ' SER . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.576 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 473' ' ' LEU . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' A' ' 515' ' ' LEU . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.536 ' HA ' HD21 ' A' ' 515' ' ' LEU . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 469' ' ' THR . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 460' ' ' ARG . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 482' ' ' THR . 24.3 t -116.33 134.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -119.5 156.75 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.94 134.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 500' ' ' LEU . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 515' ' ' LEU . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.54 HG23 ' HE2' ' A' ' 513' ' ' PHE . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' THR . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 490' ' ' VAL . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.63 ' HG3' HG22 ' A' ' 479' ' ' THR . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.63 HG22 ' HG3' ' A' ' 478' ' ' GLN . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 452' ' ' VAL . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 452' ' ' VAL . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 474' ' ' LEU . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 456' ' ' GLU . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.574 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.574 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 94.5 m-70 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.54 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 463' ' ' LEU . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.32 145.46 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -118.89 154.69 32.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.78 130.94 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 496' ' ' ILE . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.527 ' H ' HG22 ' A' ' 455' ' ' THR . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 515' ' ' LEU . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB2' HD12 ' A' ' 515' ' ' LEU . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 469' ' ' THR . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 497' ' ' LEU . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.806 ' O ' HG21 ' A' ' 482' ' ' THR . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 482' ' ' THR . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.806 HG21 ' O ' ' A' ' 477' ' ' PHE . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 488' ' ' GLN . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 484' ' ' LEU . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 486' ' ' SER . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 473' ' ' LEU . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 515' ' ' LEU . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 460' ' ' ARG . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 482' ' ' THR . 14.8 p -108.33 139.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.57 164.37 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.545 HG12 HD13 ' A' ' 496' ' ' ILE . 23.1 t -84.59 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 457' ' ' ASP . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 455' ' ' THR . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 464' ' ' THR . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 511' ' ' MET . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.692 HG23 ' HE1' ' A' ' 513' ' ' PHE . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.614 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.614 HG23 ' HG3' ' A' ' 478' ' ' GLN . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.733 ' HA ' HG11 ' A' ' 452' ' ' VAL . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 492' ' ' VAL . 41.5 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 493' ' ' LEU . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 486' ' ' SER . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 489' ' ' THR . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.545 HD13 HG12 ' A' ' 454' ' ' VAL . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 515' ' ' LEU . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 469' ' ' THR . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.692 ' HE1' HG23 ' A' ' 470' ' ' THR . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 500' ' ' LEU . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.806 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.4 135.33 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -113.19 147.15 38.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m -65.85 137.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 455' ' ' THR . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 473' ' ' LEU . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.826 ' O ' HG23 ' A' ' 464' ' ' THR . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.553 ' HB3' ' HE2' ' A' ' 468' ' ' MET . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 460' ' ' ARG . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.553 ' HE2' ' HB3' ' A' ' 462' ' ' TYR . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 511' ' ' MET . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.864 HG23 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 459' ' ' VAL . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 490' ' ' VAL . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 474' ' ' LEU . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 515' ' ' LEU . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ILE . . . . . 0.553 ' HB ' ' CD2' ' A' ' 512' ' ' HIS . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.636 ' O ' HG22 ' A' ' 469' ' ' THR . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.553 ' CD2' ' HB ' ' A' ' 507' ' ' ILE . 92.4 m-70 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.864 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.813 0.339 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 481' ' ' LYS . 26.4 t -116.21 135.95 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -114.45 161.93 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 496' ' ' ILE . 24.9 t -99.06 133.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.695 ' C ' HD11 ' A' ' 496' ' ' ILE . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.829 ' HB3' HD21 ' A' ' 500' ' ' LEU . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.62 HG11 HD23 ' A' ' 497' ' ' LEU . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.577 HG22 ' OE2' ' A' ' 517' ' ' GLU . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.766 HG21 ' HE3' ' A' ' 510' ' ' LYS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 489' ' ' THR . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 25.9 mm100 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' A' ' 452' ' ' VAL . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.693 HG22 HD12 ' A' ' 474' ' ' LEU . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 491' ' ' ASN . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.695 HD11 ' C ' ' A' ' 455' ' ' THR . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.62 HD23 HG11 ' A' ' 459' ' ' VAL . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 456' ' ' GLU . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.766 ' HE3' HG21 ' A' ' 469' ' ' THR . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 517' ' ' GLU . . . . . 0.577 ' OE2' HG22 ' A' ' 464' ' ' THR . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.328 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.23 140.09 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -140.36 163.51 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.31 130.97 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.727 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.515 ' HG2' HD11 ' A' ' 500' ' ' LEU . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 513' ' ' PHE . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.424 ' HE3' HD23 ' A' ' 473' ' ' LEU . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 511' ' ' MET . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.607 ' HB2' HD11 ' A' ' 493' ' ' LEU . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 474' ' ' LEU . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 473' ' ' LEU . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.727 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 470' ' ' THR . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 500' ' ' LEU . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 469' ' ' THR . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.61 135.48 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.27 149.52 32.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 492' ' ' VAL . 4.6 m -64.01 137.06 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 460' ' ' ARG . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.732 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 511' ' ' MET . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.946 HG23 ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.406 ' CD1' HD21 ' A' ' 497' ' ' LEU . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 490' ' ' VAL . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 479' ' ' THR . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 490' ' ' VAL . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 486' ' ' SER . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 493' ' ' LEU . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.534 HD21 ' HG2' ' A' ' 456' ' ' GLU . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.747 ' O ' HG22 ' A' ' 469' ' ' THR . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.946 ' CE2' HG23 ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 460' ' ' ARG . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.72 139.12 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -141.92 165.08 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 496' ' ' ILE . 22.0 t -65.13 134.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.525 ' C ' HD11 ' A' ' 496' ' ' ILE . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.585 ' HB3' HD21 ' A' ' 500' ' ' LEU . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.695 HG12 ' CD1' ' A' ' 463' ' ' LEU . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 464' ' ' THR . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.695 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 460' ' ' ARG . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 473' ' ' LEU . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.766 ' HB3' HD11 ' A' ' 493' ' ' LEU . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.775 HD23 HD13 ' A' ' 493' ' ' LEU . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 482' ' ' THR . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 481' ' ' LYS . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 492' ' ' VAL . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.708 HG22 ' CD1' ' A' ' 474' ' ' LEU . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.435 HG21 HD13 ' A' ' 484' ' ' LEU . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.775 HD13 HD23 ' A' ' 474' ' ' LEU . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 455' ' ' THR . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 493' ' ' LEU . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 456' ' ' GLU . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.418 ' HB3' HD23 ' A' ' 463' ' ' LEU . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.9 136.03 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -112.99 161.03 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -98.29 136.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 457' ' ' ASP . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 455' ' ' THR . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 497' ' ' LEU . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 464' ' ' THR . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 513' ' ' PHE . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 460' ' ' ARG . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 511' ' ' MET . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.806 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.612 HD11 ' CA ' ' A' ' 490' ' ' VAL . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.838 ' HG2' HG23 ' A' ' 479' ' ' THR . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.838 HG23 ' HG2' ' A' ' 478' ' ' GLN . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 492' ' ' VAL . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 493' ' ' LEU . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.612 ' CA ' HD11 ' A' ' 474' ' ' LEU . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 459' ' ' VAL . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 515' ' ' LEU . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 469' ' ' THR . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.806 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.815 ' CD1' HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 482' ' ' THR . 13.0 p -106.63 136.8 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -141.98 168.04 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t -98.99 134.02 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.657 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.67 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 515' ' ' LEU . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 515' ' ' LEU . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.824 ' CE ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 511' ' ' MET . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.637 HG23 ' HE2' ' A' ' 513' ' ' PHE . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 468' ' ' MET . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.805 HD11 HG22 ' A' ' 490' ' ' VAL . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 479' ' ' THR . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 478' ' ' GLN . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.849 HG22 HG13 ' A' ' 452' ' ' VAL . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 493' ' ' LEU . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.805 HG22 HD11 ' A' ' 474' ' ' LEU . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 473' ' ' LEU . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 515' ' ' LEU . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 469' ' ' THR . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.637 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.756 ' CD2' HD21 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.83 0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 482' ' ' THR . 22.7 t -116.1 133.05 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.01 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -111.09 135.01 51.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.721 ' HG3' HD22 ' A' ' 515' ' ' LEU . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.421 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 513' ' ' PHE . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 472' ' ' ASP . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.723 HG23 ' HE2' ' A' ' 513' ' ' PHE . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 469' ' ' THR . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.421 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.461 ' HA ' HG11 ' A' ' 452' ' ' VAL . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 493' ' ' LEU . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 486' ' ' SER . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 489' ' ' THR . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.45 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.721 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.6 p -107.61 141.24 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -107.23 164.11 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.483 HG12 ' CE1' ' A' ' 477' ' ' PHE . 3.6 m -59.25 133.49 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.767 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 500' ' ' LEU . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.506 ' HG3' HD13 ' A' ' 515' ' ' LEU . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.452 HG21 ' HG3' ' A' ' 517' ' ' GLU . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.407 ' HE3' HD23 ' A' ' 473' ' ' LEU . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' A' ' 493' ' ' LEU . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 474' ' ' LEU . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.483 ' CE1' HG12 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 486' ' ' SER . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.767 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 510' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.431 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' A' ' 464' ' ' THR . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.661 HG11 ' HA ' ' A' ' 482' ' ' THR . 25.1 t -117.34 135.55 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -115.92 159.19 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.5 135.56 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 457' ' ' ASP . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 455' ' ' THR . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 464' ' ' THR . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 515' ' ' LEU . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 460' ' ' ARG . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 511' ' ' MET . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.937 HG23 ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 493' ' ' LEU . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 493' ' ' LEU . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.661 ' HA ' HG11 ' A' ' 452' ' ' VAL . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 452' ' ' VAL . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 490' ' ' VAL . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 474' ' ' LEU . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 474' ' ' LEU . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.669 HD13 HG22 ' A' ' 470' ' ' THR . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 515' ' ' LEU . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.816 ' O ' HG22 ' A' ' 469' ' ' THR . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.937 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.808 HD11 HD21 ' A' ' 500' ' ' LEU . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.8 p -107.31 140.57 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -112.22 155.03 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t -63.78 137.43 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 500' ' ' LEU . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.492 ' H ' HG22 ' A' ' 455' ' ' THR . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.63 ' HG3' HD13 ' A' ' 515' ' ' LEU . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 502' ' ' PRO . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.697 HG22 HD13 ' A' ' 497' ' ' LEU . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.529 ' H ' HG23 ' A' ' 469' ' ' THR . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.507 HD23 ' HE3' ' A' ' 476' ' ' LYS . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.757 HD21 HG22 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' A' ' 473' ' ' LEU . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.757 HG22 HD21 ' A' ' 474' ' ' LEU . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.697 HD13 HG22 ' A' ' 470' ' ' THR . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 456' ' ' GLU . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.841 ' HB3' HD12 ' A' ' 515' ' ' LEU . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 48.4 m-70 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.845 0.355 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -114.42 135.38 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -119.02 158.57 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -110.93 136.79 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.728 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.784 ' H ' HG23 ' A' ' 455' ' ' THR . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 463' ' ' LEU . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 464' ' ' THR . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 476' ' ' LYS . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 515' ' ' LEU . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 460' ' ' ARG . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 468' ' ' MET . . . . . 0.413 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 472' ' ' ASP . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 472' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 469' ' ' THR . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 493' ' ' LEU . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 462' ' ' TYR . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.728 HD11 ' N ' ' A' ' 456' ' ' GLU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 515' ' ' LEU . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 2.0 t30 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.922 HD11 HD21 ' A' ' 500' ' ' LEU . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 453' ' ' GLN . 8.3 p -114.67 163.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' GLN . . . . . 0.936 ' HA ' HG22 ' A' ' 482' ' ' THR . 47.4 tt0 -61.72 159.37 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.744 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 18.6 t -56.7 130.24 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.321 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 459' ' ' VAL . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 500' ' ' LEU . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 497' ' ' LEU . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.584 ' HG3' HD13 ' A' ' 515' ' ' LEU . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 513' ' ' PHE . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 460' ' ' ARG . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.585 HG23 ' HE2' ' A' ' 513' ' ' PHE . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 479' ' ' THR . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 478' ' ' GLN . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 480' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 453' ' ' GLN . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.852 ' CD2' HG11 ' A' ' 459' ' ' VAL . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.69 HD21 ' O ' ' A' ' 456' ' ' GLU . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.585 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.584 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.783 0.325 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 452' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 482' ' ' THR . 24.4 t -115.21 134.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -130.83 162.0 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.729 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 23.2 t -98.68 136.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.762 ' OE2' HD13 ' A' ' 500' ' ' LEU . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 497' ' ' LEU . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.822 ' HG3' HD22 ' A' ' 515' ' ' LEU . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.718 HG23 ' HE2' ' A' ' 513' ' ' PHE . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.601 ' HB3' HD11 ' A' ' 493' ' ' LEU . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 470' ' ' THR . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.729 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 482' ' ' THR . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 482' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 486' ' ' SER . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 473' ' ' LEU . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.601 HD21 HG11 ' A' ' 459' ' ' VAL . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.762 HD13 ' OE2' ' A' ' 456' ' ' GLU . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 515' ' ' LEU . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 5.3 m120 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.718 ' HE2' HG23 ' A' ' 470' ' ' THR . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.8 0.333 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.47 135.4 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -104.08 143.96 32.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 454' ' ' VAL . . . . . 0.737 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t -61.98 135.47 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 500' ' ' LEU . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.648 ' HG3' HD13 ' A' ' 515' ' ' LEU . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 511' ' ' MET . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.666 HG23 ' HE2' ' A' ' 513' ' ' PHE . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.558 HD13 HD22 ' A' ' 493' ' ' LEU . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.662 HD21 HG22 ' A' ' 490' ' ' VAL . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 477' ' ' PHE . . . . . 0.737 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 489' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 477' ' ' PHE . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.662 HG22 HD21 ' A' ' 474' ' ' LEU . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.558 HD22 HD13 ' A' ' 473' ' ' LEU . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 473' ' ' LEU . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 456' ' ' GLU . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 511' ' ' MET . . . . . 0.41 ' O ' HG22 ' A' ' 469' ' ' THR . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 470' ' ' THR . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.53 133.33 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -110.18 141.74 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.87 132.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 459' ' ' VAL . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 455' ' ' THR . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 456' ' ' GLU . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 513' ' ' PHE . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 469' ' ' THR . . . . . 0.761 ' O ' HD12 ' A' ' 473' ' ' LEU . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' THR . . . . . 0.528 ' HA ' HD13 ' A' ' 473' ' ' LEU . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 473' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 469' ' ' THR . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 474' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 474' ' ' LEU . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 476' ' ' LYS . . . . . 0.445 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 484' ' ' LEU . . . . . 0.731 HD11 ' CB ' ' A' ' 488' ' ' GLN . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 486' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 490' ' ' VAL . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLN . . . . . 0.731 ' CB ' HD11 ' A' ' 484' ' ' LEU . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 486' ' ' SER . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 492' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' LEU . . . . . 0.413 HD21 HD11 ' A' ' 497' ' ' LEU . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 515' ' ' LEU . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 502' ' ' PRO . . . . . 0.503 ' HB3' HD11 ' A' ' 515' ' ' LEU . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 512' ' ' HIS . . . . . 0.662 ' CD2' HG22 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 463' ' ' LEU . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 500' ' ' LEU . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.887 0.375 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.575 ' C ' HD11 ' A' ' 496' ' ' ILE . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.576 ' N ' HD11 ' A' ' 496' ' ' ILE . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 473' ' ' LEU . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 515' ' ' LEU . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 513' ' ' PHE . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 460' ' ' ARG . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 511' ' ' MET . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.865 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 459' ' ' VAL . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 459' ' ' VAL . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 486' ' ' SER . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.576 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 473' ' ' LEU . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' A' ' 515' ' ' LEU . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.536 ' HA ' HD21 ' A' ' 515' ' ' LEU . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 469' ' ' THR . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 469' ' ' THR . 71.3 m80 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 460' ' ' ARG . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 500' ' ' LEU . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 515' ' ' LEU . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.447 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.54 HG23 ' HE2' ' A' ' 513' ' ' PHE . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' THR . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 490' ' ' VAL . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.63 ' HG3' HG22 ' A' ' 479' ' ' THR . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.63 HG22 ' HG3' ' A' ' 478' ' ' GLN . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 474' ' ' LEU . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 456' ' ' GLU . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.447 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 75.2 m80 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.54 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 463' ' ' LEU . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.772 0.32 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 496' ' ' ILE . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.527 ' H ' HG22 ' A' ' 455' ' ' THR . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 515' ' ' LEU . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB2' HD12 ' A' ' 515' ' ' LEU . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 469' ' ' THR . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 497' ' ' LEU . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.806 ' O ' HG21 ' A' ' 482' ' ' THR . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 482' ' ' THR . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.806 HG21 ' O ' ' A' ' 477' ' ' PHE . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 488' ' ' GLN . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 484' ' ' LEU . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 486' ' ' SER . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 473' ' ' LEU . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 515' ' ' LEU . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 460' ' ' ARG . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.545 HG12 HD13 ' A' ' 496' ' ' ILE . 23.1 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 111.08 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 457' ' ' ASP . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 455' ' ' THR . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 464' ' ' THR . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 511' ' ' MET . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.692 HG23 ' HE1' ' A' ' 513' ' ' PHE . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.614 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.614 HG23 ' HG3' ' A' ' 478' ' ' GLN . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 492' ' ' VAL . 56.8 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 493' ' ' LEU . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 486' ' ' SER . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 489' ' ' THR . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.545 HD13 HG12 ' A' ' 454' ' ' VAL . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 515' ' ' LEU . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 469' ' ' THR . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.692 ' HE1' HG23 ' A' ' 470' ' ' THR . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 500' ' ' LEU . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.77 0.319 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 455' ' ' THR . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 473' ' ' LEU . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.826 ' O ' HG23 ' A' ' 464' ' ' THR . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.553 ' HB3' ' HE2' ' A' ' 468' ' ' MET . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 460' ' ' ARG . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.553 ' HE2' ' HB3' ' A' ' 462' ' ' TYR . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 511' ' ' MET . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.864 HG23 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 459' ' ' VAL . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 490' ' ' VAL . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 474' ' ' LEU . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 515' ' ' LEU . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.636 ' O ' HG22 ' A' ' 469' ' ' THR . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.521 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.864 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 496' ' ' ILE . 24.9 t . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.773 0.32 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.695 ' C ' HD11 ' A' ' 496' ' ' ILE . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.829 ' HB3' HD21 ' A' ' 500' ' ' LEU . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.62 HG11 HD23 ' A' ' 497' ' ' LEU . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.577 HG22 ' OE2' ' A' ' 517' ' ' GLU . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.766 HG21 ' HE3' ' A' ' 510' ' ' LYS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 489' ' ' THR . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.549 HE21 HG21 ' A' ' 489' ' ' THR . 95.0 mm-40 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.693 HG22 HD12 ' A' ' 474' ' ' LEU . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 491' ' ' ASN . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.695 HD11 ' C ' ' A' ' 455' ' ' THR . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.62 HD23 HG11 ' A' ' 459' ' ' VAL . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 456' ' ' GLU . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.766 ' HE3' HG21 ' A' ' 469' ' ' THR . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . 0.577 ' OE2' HG22 ' A' ' 464' ' ' THR . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.803 0.335 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.727 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.515 ' HG2' HD11 ' A' ' 500' ' ' LEU . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 513' ' ' PHE . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.424 ' HE3' HD23 ' A' ' 473' ' ' LEU . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 511' ' ' MET . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.607 ' HB2' HD11 ' A' ' 493' ' ' LEU . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 474' ' ' LEU . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 473' ' ' LEU . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.727 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 470' ' ' THR . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 500' ' ' LEU . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 469' ' ' THR . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 492' ' ' VAL . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.811 0.338 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 460' ' ' ARG . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.732 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 511' ' ' MET . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.946 HG23 ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.406 ' CD1' HD21 ' A' ' 497' ' ' LEU . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 490' ' ' VAL . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 479' ' ' THR . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 490' ' ' VAL . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 486' ' ' SER . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 493' ' ' LEU . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.534 HD21 ' HG2' ' A' ' 456' ' ' GLU . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.747 ' O ' HG22 ' A' ' 469' ' ' THR . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.946 ' CE2' HG23 ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 460' ' ' ARG . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 496' ' ' ILE . 22.0 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.786 0.327 . . . . 0.0 111.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.525 ' C ' HD11 ' A' ' 496' ' ' ILE . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.585 ' HB3' HD21 ' A' ' 500' ' ' LEU . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.695 HG12 ' CD1' ' A' ' 463' ' ' LEU . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 464' ' ' THR . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.695 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 460' ' ' ARG . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 473' ' ' LEU . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.766 ' HB3' HD11 ' A' ' 493' ' ' LEU . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.775 HD23 HD13 ' A' ' 493' ' ' LEU . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 482' ' ' THR . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 481' ' ' LYS . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 492' ' ' VAL . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.708 HG22 ' CD1' ' A' ' 474' ' ' LEU . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.435 HG21 HD13 ' A' ' 484' ' ' LEU . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.775 HD13 HD23 ' A' ' 474' ' ' LEU . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 455' ' ' THR . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 493' ' ' LEU . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 456' ' ' GLU . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.472 ' CD2' HG23 ' A' ' 469' ' ' THR . 70.3 m80 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.418 ' HB3' HD23 ' A' ' 463' ' ' LEU . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.78 0.324 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 457' ' ' ASP . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 455' ' ' THR . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 497' ' ' LEU . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 464' ' ' THR . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 513' ' ' PHE . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 460' ' ' ARG . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 511' ' ' MET . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.806 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.612 HD11 ' CA ' ' A' ' 490' ' ' VAL . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.838 ' HG2' HG23 ' A' ' 479' ' ' THR . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.838 HG23 ' HG2' ' A' ' 478' ' ' GLN . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 492' ' ' VAL . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 493' ' ' LEU . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.612 ' CA ' HD11 ' A' ' 474' ' ' LEU . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 459' ' ' VAL . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 515' ' ' LEU . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 469' ' ' THR . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.806 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.815 ' CD1' HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.798 0.332 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.657 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.67 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 515' ' ' LEU . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 515' ' ' LEU . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.824 ' CE ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 511' ' ' MET . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.637 HG23 ' HE2' ' A' ' 513' ' ' PHE . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 468' ' ' MET . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.805 HD11 HG22 ' A' ' 490' ' ' VAL . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 479' ' ' THR . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 478' ' ' GLN . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.75 ' HB ' HD23 ' A' ' 484' ' ' LEU . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 493' ' ' LEU . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.805 HG22 HD11 ' A' ' 474' ' ' LEU . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 473' ' ' LEU . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 515' ' ' LEU . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 469' ' ' THR . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.637 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.756 ' CD2' HD21 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.848 0.356 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.721 ' HG3' HD22 ' A' ' 515' ' ' LEU . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.421 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 513' ' ' PHE . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 472' ' ' ASP . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.723 HG23 ' HE2' ' A' ' 513' ' ' PHE . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 469' ' ' THR . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.421 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 493' ' ' LEU . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 486' ' ' SER . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 489' ' ' THR . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.45 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.721 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.483 HG12 ' CE1' ' A' ' 477' ' ' PHE . 3.6 m . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.767 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 500' ' ' LEU . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.506 ' HG3' HD13 ' A' ' 515' ' ' LEU . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.452 HG21 ' HG3' ' A' ' 517' ' ' GLU . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.407 ' HE3' HD23 ' A' ' 473' ' ' LEU . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' A' ' 493' ' ' LEU . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 474' ' ' LEU . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.483 ' CE1' HG12 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 486' ' ' SER . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.767 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.431 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' A' ' 464' ' ' THR . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.859 0.361 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 457' ' ' ASP . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 455' ' ' THR . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 464' ' ' THR . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 515' ' ' LEU . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 460' ' ' ARG . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 511' ' ' MET . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.937 HG23 ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 493' ' ' LEU . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 493' ' ' LEU . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.434 HG21 ' HE2' ' A' ' 477' ' ' PHE . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 490' ' ' VAL . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 474' ' ' LEU . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 474' ' ' LEU . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.669 HD13 HG22 ' A' ' 470' ' ' THR . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 515' ' ' LEU . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.816 ' O ' HG22 ' A' ' 469' ' ' THR . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.937 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.808 HD11 HD21 ' A' ' 500' ' ' LEU . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.864 0.364 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 500' ' ' LEU . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.492 ' H ' HG22 ' A' ' 455' ' ' THR . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.63 ' HG3' HD13 ' A' ' 515' ' ' LEU . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 502' ' ' PRO . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.697 HG22 HD13 ' A' ' 497' ' ' LEU . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.529 ' H ' HG23 ' A' ' 469' ' ' THR . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.507 HD23 ' HE3' ' A' ' 476' ' ' LYS . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.757 HD21 HG22 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' A' ' 473' ' ' LEU . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.757 HG22 HD21 ' A' ' 474' ' ' LEU . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.697 HD13 HG22 ' A' ' 470' ' ' THR . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 456' ' ' GLU . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.841 ' HB3' HD12 ' A' ' 515' ' ' LEU . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.819 0.343 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.728 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.784 ' H ' HG23 ' A' ' 455' ' ' THR . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 463' ' ' LEU . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 464' ' ' THR . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 476' ' ' LYS . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 515' ' ' LEU . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 460' ' ' ARG . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . 0.413 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 472' ' ' ASP . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 469' ' ' THR . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 493' ' ' LEU . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 462' ' ' TYR . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.728 HD11 ' N ' ' A' ' 456' ' ' GLU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 515' ' ' LEU . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 12.0 t-20 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.922 HD11 HD21 ' A' ' 500' ' ' LEU . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.744 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 18.6 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.9 0.381 . . . . 0.0 111.321 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 459' ' ' VAL . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 500' ' ' LEU . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 497' ' ' LEU . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.584 ' HG3' HD13 ' A' ' 515' ' ' LEU . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 513' ' ' PHE . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 460' ' ' ARG . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.585 HG23 ' HE2' ' A' ' 513' ' ' PHE . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 479' ' ' THR . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 478' ' ' GLN . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.852 ' CD2' HG11 ' A' ' 459' ' ' VAL . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.69 HD21 ' O ' ' A' ' 456' ' ' GLU . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 74.1 m80 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.585 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.584 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.729 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 23.2 t . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.79 0.329 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.762 ' OE2' HD13 ' A' ' 500' ' ' LEU . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 497' ' ' LEU . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.822 ' HG3' HD22 ' A' ' 515' ' ' LEU . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.718 HG23 ' HE2' ' A' ' 513' ' ' PHE . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.601 ' HB3' HD11 ' A' ' 493' ' ' LEU . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 470' ' ' THR . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.729 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 482' ' ' THR . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 486' ' ' SER . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 473' ' ' LEU . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.601 HD21 HG11 ' A' ' 459' ' ' VAL . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.762 HD13 ' OE2' ' A' ' 456' ' ' GLU . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 515' ' ' LEU . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . 0.542 HG22 HD22 ' A' ' 508' ' ' ASN . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . 0.542 HD22 HG22 ' A' ' 507' ' ' ILE . 2.8 m-80 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.718 ' HE2' HG23 ' A' ' 470' ' ' THR . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . 0.737 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 500' ' ' LEU . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.648 ' HG3' HD13 ' A' ' 515' ' ' LEU . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 511' ' ' MET . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.666 HG23 ' HE2' ' A' ' 513' ' ' PHE . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.558 HD13 HD22 ' A' ' 493' ' ' LEU . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.662 HD21 HG22 ' A' ' 490' ' ' VAL . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . 0.737 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 477' ' ' PHE . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.662 HG22 HD21 ' A' ' 474' ' ' LEU . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.558 HD22 HD13 ' A' ' 473' ' ' LEU . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 473' ' ' LEU . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 456' ' ' GLU . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . 0.41 ' O ' HG22 ' A' ' 469' ' ' THR . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 470' ' ' THR . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.826 0.346 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 459' ' ' VAL . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 455' ' ' THR . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 456' ' ' GLU . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 513' ' ' PHE . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' THR . . . . . 0.761 ' O ' HD12 ' A' ' 473' ' ' LEU . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' THR . . . . . 0.528 ' HA ' HD13 ' A' ' 473' ' ' LEU . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 469' ' ' THR . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 474' ' ' LEU . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' LYS . . . . . 0.445 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' LEU . . . . . 0.731 HD11 ' CB ' ' A' ' 488' ' ' GLN . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 490' ' ' VAL . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' GLN . . . . . 0.731 ' CB ' HD11 ' A' ' 484' ' ' LEU . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 486' ' ' SER . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' LEU . . . . . 0.413 HD21 HD11 ' A' ' 497' ' ' LEU . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 515' ' ' LEU . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' PRO . . . . . 0.503 ' HB3' HD11 ' A' ' 515' ' ' LEU . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' HIS . . . . . 0.662 ' CD2' HG22 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 463' ' ' LEU . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 500' ' ' LEU . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -117.68 132.99 65.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -128.62 159.63 34.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 23.3 t -109.05 130.87 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.053 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.575 ' C ' HD11 ' A' ' 496' ' ' ILE . 16.5 p -128.57 166.34 19.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.576 ' N ' HD11 ' A' ' 496' ' ' ILE . 51.4 mt-10 -59.8 -35.8 75.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -60.02 -36.47 77.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.29 -55.51 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.134 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.633 HG13 HD22 ' A' ' 473' ' ' LEU . 38.9 t -66.67 -41.14 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.03 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.546 ' HG3' HD12 ' A' ' 515' ' ' LEU . 56.9 ttt180 -59.28 -35.83 74.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.03 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -57.52 -40.95 79.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.072 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -70.65 -40.25 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.971 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.434 HD22 ' O ' ' A' ' 513' ' ' PHE . 84.6 mt -62.57 -40.34 96.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.075 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 460' ' ' ARG . 70.4 p -65.2 -31.6 72.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -79.48 -59.51 2.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.4 ptmt -146.09 150.52 42.2 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.905 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.43 129.71 18.44 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.555 2.17 . . . . 0.0 112.284 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.7 mtp -131.19 154.27 48.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 511' ' ' MET . 21.8 p -92.19 166.23 12.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.865 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.1 p -56.84 -45.35 82.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 34.7 tttt -61.53 -42.11 98.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -63.32 -37.5 87.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.633 HD22 HG13 ' A' ' 459' ' ' VAL . 92.5 mt -61.99 -41.77 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 24.2 tp -59.54 -56.26 24.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.13 -29.96 70.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -34.47 67.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.05 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.4 ' CE2' HG22 ' A' ' 459' ' ' VAL . 90.1 m-85 -96.67 20.42 10.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.116 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -104.9 -37.73 6.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 41.8 m -59.16 -41.06 87.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -92.18 145.11 24.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.812 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 70.9 tttt -72.66 101.43 3.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.843 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 73.7 p -82.22 -29.53 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 96.52 -28.52 13.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.533 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.6 mt -92.84 149.45 21.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.358 . . . . 0.0 110.844 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.2 m -59.09 154.91 14.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.72 -37.38 76.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -61.93 -40.11 94.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.578 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.6 mm-40 -63.39 -38.11 89.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.924 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 58.4 m -61.51 -38.19 86.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 486' ' ' SER . 32.6 t -63.18 -45.87 97.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -64.77 -44.12 91.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.5 t -71.75 -43.08 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.046 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.37 -35.14 79.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.74 -35.82 70.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -82.02 -39.19 23.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.576 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.1 tt -61.96 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.071 0.463 . . . . 0.0 111.133 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.464 HD21 HD13 ' A' ' 473' ' ' LEU . 78.2 mt -57.72 -43.4 85.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.07 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -60.73 -43.01 98.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.845 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 46.4 tpt85 -64.07 -43.41 95.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HG ' HD11 ' A' ' 515' ' ' LEU . 27.2 tp -65.78 -34.79 78.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.852 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 3.0 m120 60.58 60.01 3.7 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.536 ' HA ' HD21 ' A' ' 515' ' ' LEU . 56.5 Cg_endo -70.59 156.56 60.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 0.0 112.304 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -84.85 162.68 19.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 73.1 mtp85 -111.71 131.32 55.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 19.8 mtpt -135.37 151.31 50.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 11.5 ptm -110.89 107.11 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -115.98 135.65 55.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 23.6 p30 43.78 45.4 6.1 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.36 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 61.28 36.47 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -140.65 148.25 40.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.616 ' O ' HG22 ' A' ' 469' ' ' THR . 23.2 ptp -87.42 120.84 29.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.578 ' CD2' HG23 ' A' ' 469' ' ' THR . 71.3 m80 -130.08 159.22 37.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.865 ' CE2' HG23 ' A' ' 470' ' ' THR . 96.1 m-85 -111.5 133.23 53.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.827 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 33.8 t -146.05 137.69 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.955 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.546 HD12 ' HG3' ' A' ' 460' ' ' ARG . 12.2 mt -109.59 145.46 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.958 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 56.7 tttp -115.83 94.9 4.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.906 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.2 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 482' ' ' THR . 24.3 t -116.33 134.89 58.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -119.5 156.75 29.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.6 t -60.94 134.5 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 43.3 m -115.62 143.79 44.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.981 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.417 ' O ' HD21 ' A' ' 500' ' ' LEU . 97.1 mt-10 -61.74 -43.1 99.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -70.61 -35.47 72.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -56.97 -45.69 82.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.235 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 38.6 t -65.8 -40.01 86.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 67.0 ttt180 -59.91 -38.23 81.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.099 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 61.1 mtp85 -56.98 -39.7 75.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.15 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -65.5 -39.64 92.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 515' ' ' LEU . 80.8 mt -69.08 -38.03 78.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.016 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 18.1 p -60.35 -32.56 71.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -79.54 -62.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 149.61 39.38 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.44 137.77 65.27 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.549 2.166 . . . . 0.0 112.251 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 94.2 mmm -127.39 160.07 32.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.447 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.2 p -118.76 163.65 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.54 HG23 ' HE2' ' A' ' 513' ' ' PHE . 66.4 p -58.39 -47.64 83.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -43.54 85.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -61.97 -37.06 83.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.016 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 470' ' ' THR . 18.7 mt -60.51 -40.82 92.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.657 HD11 HG22 ' A' ' 490' ' ' VAL . 73.7 mt -63.19 -39.02 93.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -61.53 -38.67 88.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 47.8 mmtt -60.34 -36.49 78.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -106.68 23.58 14.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.63 ' HG3' HG22 ' A' ' 479' ' ' THR . 14.6 pt20 -60.1 -43.33 95.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.63 HG22 ' HG3' ' A' ' 478' ' ' GLN . 11.6 t -157.76 132.0 8.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -176.47 -63.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.558 ' HG2' HG23 ' A' ' 452' ' ' VAL . 43.4 tptt -142.61 -47.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 452' ' ' VAL . 17.8 p -60.62 129.52 41.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -97.46 27.31 19.27 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 63.4 mt -91.0 141.87 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.834 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 42.8 m -61.16 157.01 16.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.4 m -58.67 -37.22 75.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -71.13 -40.15 71.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -62.97 -37.86 88.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 49.2 m -61.1 -35.94 78.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.657 HG22 HD11 ' A' ' 474' ' ' LEU . 30.4 t -59.34 -41.25 83.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -58.71 -46.43 87.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 28.2 t -74.51 -47.01 41.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.608 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -62.59 -36.49 82.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 -179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -67.6 -33.98 76.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.219 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -82.04 -40.72 21.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.241 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 3.8 tt -58.07 -42.81 83.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.237 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 93.8 mt -59.53 -32.64 70.51 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.054 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -59.02 -46.27 88.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.067 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 49.0 ttt180 -63.85 -41.54 97.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 456' ' ' GLU . 7.2 mp -66.44 -37.35 84.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 60.43 55.95 3.99 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 153.31 68.36 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.573 2.182 . . . . 0.0 112.348 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -80.55 161.25 24.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.815 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 39.2 mmm-85 -112.5 130.9 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -133.22 144.95 50.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.6 mtt -98.49 104.48 16.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -121.63 125.18 73.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.012 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 58.17 41.75 23.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.26 35.08 23.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.46 156.28 45.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 63.9 mtt -89.8 130.23 36.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.85 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.447 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 75.2 m80 -133.01 162.79 30.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.945 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.54 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -110.98 141.68 44.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.804 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -132.03 139.92 48.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.796 HD12 HD12 ' A' ' 463' ' ' LEU . 0.5 OUTLIER -142.22 140.98 32.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -118.7 124.32 47.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.912 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.795 0.331 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.1 p -107.32 145.46 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -118.89 154.69 32.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.3 t -68.78 130.94 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.527 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.0 m -126.6 147.1 49.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.401 ' HG2' ' CG1' ' A' ' 496' ' ' ILE . 44.4 mt-10 -60.2 -38.64 83.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.527 ' H ' HG22 ' A' ' 455' ' ' THR . 93.1 m-20 -61.3 -39.01 88.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.404 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.4 t -64.2 -41.02 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.474 ' HA ' HD12 ' A' ' 515' ' ' LEU . 96.0 mtt180 -59.79 -39.82 86.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -61.02 -40.4 93.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.009 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 70.7 m-85 -70.83 -44.39 66.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.401 ' HB2' HD12 ' A' ' 515' ' ' LEU . 73.8 mt -67.52 -34.7 77.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.995 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -62.66 -30.51 71.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.1 ttm180 -76.87 -65.13 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -146.08 146.76 29.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.65 133.8 58.93 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.457 2.104 . . . . 0.0 112.227 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.2 mtp -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.46 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.0 t -120.56 167.38 12.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 28.2 p -54.39 -43.61 71.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 10.0 tmtt? -59.25 -43.47 92.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.46 ' H ' HG23 ' A' ' 469' ' ' THR . 95.4 m-20 -64.23 -37.1 86.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.966 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.535 ' CD1' HD21 ' A' ' 497' ' ' LEU . 95.8 mt -59.87 -42.3 93.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 76.8 mt -58.56 -43.09 89.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.944 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 2.2 tmtm? -76.76 -45.77 27.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 14.5 tptp -60.05 -24.88 64.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.335 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.806 ' O ' HG21 ' A' ' 482' ' ' THR . 16.5 m-85 -94.04 24.31 4.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.414 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -103.09 24.94 10.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.769 0.319 . . . . 0.0 110.952 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.404 ' O ' HG23 ' A' ' 482' ' ' THR . 21.3 p -131.79 178.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? 63.91 25.18 13.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.17 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.8 tptt 50.93 64.13 1.96 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.185 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.806 HG21 ' O ' ' A' ' 477' ' ' PHE . 46.1 p -60.23 -37.49 80.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 56.55 22.27 38.33 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.404 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 488' ' ' GLN . 27.0 tp -115.91 131.82 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.3 m -59.22 149.29 28.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.685 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.0 p -63.75 -35.44 80.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -66.08 -47.64 73.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.927 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.481 ' HB2' HD11 ' A' ' 484' ' ' LEU . 95.0 mt-30 -65.0 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.3 m -59.99 -38.19 81.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 486' ' ' SER . 40.3 t -62.96 -42.93 98.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.177 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.21 -48.47 79.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.148 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.1 t -73.91 -48.15 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.262 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 29.7 tp -59.61 -37.25 78.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.011 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.3 -35.93 81.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.172 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -81.96 -42.67 19.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.099 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -61.3 -44.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.004 0.43 . . . . 0.0 111.127 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.535 HD21 ' CD1' ' A' ' 473' ' ' LEU . 75.7 mt -59.28 -46.49 88.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.007 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -60.77 -37.45 81.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 2.7 tpp85 -59.67 -37.95 80.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 515' ' ' LEU . 1.1 mp -63.71 -36.46 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.406 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 0.1 OUTLIER 59.34 53.69 4.42 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.892 -179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.406 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 74.2 Cg_endo -75.34 -173.63 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.617 2.211 . . . . 0.0 112.392 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -94.09 165.6 12.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.819 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.2 mtp85 -117.42 127.88 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -137.85 144.26 41.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 69.3 mtm -107.61 111.63 23.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -124.69 124.68 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.158 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 56.55 43.23 26.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.02 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 60.73 35.41 19.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -137.28 147.54 45.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.814 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.44 121.98 32.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -128.45 159.01 36.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -116.17 143.54 45.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 27.8 t -133.98 137.57 44.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 460' ' ' ARG . 17.9 mt -110.45 145.5 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -121.91 94.88 4.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.9 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.824 0.345 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.733 HG11 ' HA ' ' A' ' 482' ' ' THR . 14.8 p -108.33 139.23 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -129.57 164.37 23.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.545 HG12 HD13 ' A' ' 496' ' ' ILE . 23.1 t -84.59 136.0 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.59 HG22 ' H ' ' A' ' 457' ' ' ASP . 57.0 m -112.69 142.03 45.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.3 -35.54 75.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.59 ' H ' HG22 ' A' ' 455' ' ' THR . 91.2 m-20 -59.91 -39.23 84.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.75 -40.34 94.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.3 t -66.47 -39.93 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.625 ' O ' HG23 ' A' ' 464' ' ' THR . 95.9 mtt-85 -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.033 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 80.4 mtm180 -58.35 -41.29 84.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -69.32 -46.93 65.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.054 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 45.5 mt -68.69 -34.32 75.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 460' ' ' ARG . 17.4 p -65.35 -30.08 70.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -75.93 -65.1 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -146.12 142.69 17.97 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.78 133.73 59.01 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.422 2.081 . . . . 0.0 112.185 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 86.4 mtp -133.42 151.05 51.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 511' ' ' MET . 39.4 p -92.21 170.61 9.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.82 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.692 HG23 ' HE1' ' A' ' 513' ' ' PHE . 68.0 p -57.51 -47.71 81.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -62.69 -37.76 87.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -59.58 -33.27 71.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.01 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 74.7 mt -57.51 -40.63 79.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 74.6 mt -63.97 -36.71 84.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -60.07 -33.38 72.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -93.85 -24.97 17.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.0 19.67 12.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.332 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.614 ' HG3' HG23 ' A' ' 479' ' ' THR . 17.0 pt20 -112.79 -30.45 7.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.773 0.321 . . . . 0.0 111.014 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.614 HG23 ' HG3' ' A' ' 478' ' ' GLN . 48.8 p -99.52 26.98 5.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -94.79 164.11 13.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.79 28.34 3.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.988 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.733 ' HA ' HG11 ' A' ' 452' ' ' VAL . 50.3 p -69.15 -30.99 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.1 25.75 65.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 57.7 mt -107.52 144.63 34.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 25.0 t -65.31 157.62 28.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 490' ' ' VAL . 23.3 t -58.21 -38.99 77.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.14 -42.65 88.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.764 ' O ' HG23 ' A' ' 492' ' ' VAL . 56.8 mt-30 -64.35 -38.01 89.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.487 HG22 ' CD1' ' A' ' 493' ' ' LEU . 51.7 m -60.06 -41.72 92.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 486' ' ' SER . 38.1 t -64.32 -46.76 92.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -60.76 -43.37 98.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.9 t -68.14 -42.87 85.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 489' ' ' THR . 17.4 mt -60.27 -42.17 94.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.13 92.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -74.81 -45.2 45.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.545 HD13 HG12 ' A' ' 454' ' ' VAL . 1.2 tt -67.73 -43.94 86.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.016 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 39.7 mt -66.28 -32.72 74.31 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -58.67 -50.63 73.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -69.72 -30.77 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.669 HD21 HD11 ' A' ' 515' ' ' LEU . 7.0 tp -57.6 -36.62 71.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 58.27 55.02 6.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.32 154.97 65.09 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.578 2.185 . . . . 0.0 112.285 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -87.61 160.51 18.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -114.56 137.74 51.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -131.12 133.42 45.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.766 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.4 mtp -96.13 99.8 11.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.2 mt -123.5 122.5 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.056 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.11 43.32 24.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.2 t70 59.81 31.03 20.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -134.0 148.42 51.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.562 ' O ' HG22 ' A' ' 469' ' ' THR . 64.7 mtt -92.29 125.11 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -124.26 145.66 49.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.692 ' HE1' HG23 ' A' ' 470' ' ' THR . 97.9 m-85 -105.25 127.09 52.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 32.9 t -139.02 139.71 37.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.669 HD11 HD21 ' A' ' 500' ' ' LEU . 20.2 mt -109.96 143.54 39.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.003 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -123.75 94.98 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.806 0.336 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 29.6 t -113.4 135.33 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -113.19 147.15 38.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 5.2 m -65.85 137.62 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.478 HG22 ' H ' ' A' ' 457' ' ' ASP . 54.1 m -122.71 143.25 49.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.81 -39.99 86.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.478 ' H ' HG22 ' A' ' 455' ' ' THR . 22.7 t70 -65.15 -38.73 91.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.008 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.72 87.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.589 HG13 HD12 ' A' ' 473' ' ' LEU . 28.2 t -65.69 -43.49 93.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.826 ' O ' HG23 ' A' ' 464' ' ' THR . 65.2 mtm180 -59.73 -34.76 73.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.016 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -54.57 -41.58 69.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.553 ' HB3' ' HE2' ' A' ' 468' ' ' MET . 94.4 m-85 -74.12 -38.78 63.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.069 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.0 mp -70.2 -39.82 74.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.187 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.826 HG23 ' O ' ' A' ' 460' ' ' ARG . 82.1 p -59.6 -25.05 64.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.226 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.56 -65.15 1.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.926 0.393 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -146.15 144.93 22.66 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_exo -56.68 135.64 71.66 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.457 2.104 . . . . 0.0 112.169 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.553 ' HE2' ' HB3' ' A' ' 462' ' ' TYR . 64.1 mtm -144.1 154.46 43.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.019 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 511' ' ' MET . 19.5 p -86.82 168.39 13.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.706 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.864 HG23 ' CE2' ' A' ' 513' ' ' PHE . 36.4 p -54.19 -44.73 71.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.092 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -64.67 -35.11 79.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.068 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.02 -42.63 85.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.076 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.589 HD12 HG13 ' A' ' 459' ' ' VAL . 0.4 OUTLIER -60.6 -37.73 82.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.522 HD13 HG22 ' A' ' 490' ' ' VAL . 43.1 tp -61.66 -38.63 88.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -60.06 -35.05 74.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -58.31 -36.13 72.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -102.16 20.4 16.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -61.92 -38.31 87.96 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.4 t -140.92 71.65 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -132.45 133.85 44.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.73 86.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 46.4 p -110.42 -28.7 8.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.981 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 98.05 -26.51 23.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 59.8 mt -101.06 146.88 26.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.821 0.344 . . . . 0.0 110.878 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 44.9 m -59.62 154.64 17.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.2 m -59.11 -37.42 77.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -61.42 -40.71 95.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -63.85 -37.41 87.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 47.2 m -60.64 -37.11 80.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.522 HG22 HD13 ' A' ' 474' ' ' LEU . 28.9 t -60.67 -44.39 96.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -59.81 -47.3 86.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.4 t -72.26 -42.67 66.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 9.4 tt -61.19 -36.23 79.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.83 -34.35 73.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -80.12 -41.33 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.187 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.6 OUTLIER -58.61 -42.44 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.942 0.401 . . . . 0.0 111.064 -179.781 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 84.5 mt -60.13 -37.29 79.62 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.943 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.16 -47.56 84.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -67.87 -37.5 81.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.736 HD21 HD13 ' A' ' 515' ' ' LEU . 28.3 tp -63.24 -35.33 79.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 60.55 54.36 3.56 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.83 156.19 61.0 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.605 2.204 . . . . 0.0 112.295 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -87.43 162.55 17.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.796 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.18 141.34 51.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.962 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -136.78 148.36 47.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.804 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 68.7 mtm -92.73 105.12 17.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.948 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.3 mt -122.23 127.07 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 29.4 t30 57.53 42.66 23.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 58.25 38.28 26.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -148.56 150.53 33.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.636 ' O ' HG22 ' A' ' 469' ' ' THR . 64.1 mtt -82.64 126.73 32.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.521 ' CD2' HG23 ' A' ' 469' ' ' THR . 66.6 m80 -130.39 154.28 47.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.864 ' CE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.11 139.11 45.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -144.94 141.79 29.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.736 HD13 HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -119.4 129.24 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.7 tptt -96.01 129.04 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.947 179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.813 0.339 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' A' ' 481' ' ' LYS . 26.4 t -116.21 135.95 54.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -114.45 161.93 17.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.4 HG12 HD13 ' A' ' 496' ' ' ILE . 24.9 t -99.06 133.73 40.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.066 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.695 ' C ' HD11 ' A' ' 496' ' ' ILE . 17.6 p -121.61 160.5 24.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.983 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.829 ' HB3' HD21 ' A' ' 500' ' ' LEU . 43.2 mp0 -65.47 -35.43 80.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -60.84 -39.09 87.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.014 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.403 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -63.22 -36.22 82.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.276 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.62 HG11 HD23 ' A' ' 497' ' ' LEU . 24.1 t -68.17 -49.68 65.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.277 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 17.6 ptp180 -61.88 -36.71 82.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.116 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 76.3 mmt-85 -57.49 -39.72 77.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.034 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 31.3 m-85 -71.45 -44.28 65.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 85.4 mt -70.33 -33.89 72.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.577 HG22 ' OE2' ' A' ' 517' ' ' GLU . 2.1 p -60.41 -30.9 69.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -81.26 -64.68 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -146.06 144.11 20.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.838 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.81 131.72 47.69 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.469 2.112 . . . . 0.0 112.224 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.7 mtp -133.74 152.74 51.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.766 HG21 ' HE3' ' A' ' 510' ' ' LYS . 30.0 p -91.1 164.66 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.821 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE1' ' A' ' 513' ' ' PHE . 40.0 p -56.95 -45.47 82.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.009 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 13.7 mtpt -62.77 -39.51 94.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -61.97 -40.34 95.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.997 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 79.6 mt -66.16 -38.73 88.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.96 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.693 HD12 HG22 ' A' ' 489' ' ' THR . 19.4 tp -58.11 -43.31 87.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.016 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 23.8 tttp -62.0 -36.38 81.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -59.51 -31.21 69.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.041 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -97.83 27.68 4.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.549 HE21 HG21 ' A' ' 489' ' ' THR . 95.0 mm-40 -130.67 155.18 47.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.92 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 13.8 p 54.83 60.06 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.101 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 6.7 mtmp? -157.83 -74.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.98 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.432 ' HB2' HG21 ' A' ' 452' ' ' VAL . 3.0 mmmm -140.55 -46.17 0.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.1 p -57.25 124.92 20.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -110.62 29.41 9.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.551 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 65.4 mt -83.52 146.07 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.7 p -61.66 159.71 12.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.7 p -61.14 -34.36 74.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -69.83 -38.15 76.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.616 ' O ' HG23 ' A' ' 492' ' ' VAL . 66.6 mt-30 -77.0 -38.87 52.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.017 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.693 HG22 HD12 ' A' ' 474' ' ' LEU . 34.2 m -60.44 -49.24 78.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.435 HG23 ' N ' ' A' ' 491' ' ' ASN . 17.2 m -57.61 -44.44 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.373 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.435 ' N ' HG23 ' A' ' 490' ' ' VAL . 86.8 m-20 -56.1 -36.72 68.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.6 t -65.4 -46.27 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.6 mp -65.08 -36.81 85.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -65.34 -39.44 92.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.067 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -76.62 -44.06 35.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.695 HD11 ' C ' ' A' ' 455' ' ' THR . 4.1 tt -64.06 -44.34 97.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.028 0.442 . . . . 0.0 110.991 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.62 HD23 HG11 ' A' ' 459' ' ' VAL . 66.8 mt -64.97 -34.65 78.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.95 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -59.11 -46.57 87.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.97 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -63.48 -40.44 97.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.853 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.829 HD21 ' HB3' ' A' ' 456' ' ' GLU . 76.3 mt -67.52 -35.51 79.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 46.2 t30 58.26 54.24 5.78 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 153.81 67.27 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.566 2.177 . . . . 0.0 112.363 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.05 158.41 23.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.19 136.45 51.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -130.69 146.37 52.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 15.1 ptp -103.81 105.73 16.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.3 mt -122.42 124.35 70.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 19.7 m120 58.19 44.08 19.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 49.4 t0 61.13 31.2 19.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.766 ' HE3' HG21 ' A' ' 469' ' ' THR . 22.8 tttp -140.36 140.73 35.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 88.2 mtp -85.3 135.86 33.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -131.48 170.76 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE1' HG23 ' A' ' 470' ' ' THR . 96.8 m-85 -117.3 151.58 36.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 29.0 t -150.74 146.69 26.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.39 133.39 53.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.887 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -86.4 129.2 34.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . 0.577 ' OE2' HG22 ' A' ' 464' ' ' THR . 50.5 mp0 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.79 0.328 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.2 p -107.23 140.09 26.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -140.36 163.51 32.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.0 t -65.31 130.97 31.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.047 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 20.8 p -125.17 159.76 30.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.727 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.4 tt0 -60.78 -39.41 88.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.65 -38.19 80.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -64.86 -41.97 95.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 30.9 t -64.54 -41.73 93.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.018 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.515 ' HG2' HD11 ' A' ' 500' ' ' LEU . 84.7 mtp180 -59.59 -35.94 75.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.977 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . 0.451 ' NH2' ' CZ ' ' A' ' 462' ' ' TYR . 18.3 ttp-105 -58.58 -42.64 88.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.451 ' CZ ' ' NH2' ' A' ' 461' ' ' ARG . 93.6 m-85 -70.09 -44.0 69.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.031 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 513' ' ' PHE . 73.7 mt -67.9 -34.68 77.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.045 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.5 p -63.52 -31.89 73.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 55.4 mtt85 -81.26 -54.89 5.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.05 145.77 25.91 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.965 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -73.83 125.14 9.71 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.592 2.195 . . . . 0.0 112.192 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.424 ' HE3' HD23 ' A' ' 473' ' ' LEU . 57.8 mtm -134.91 159.36 41.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.732 HG22 ' O ' ' A' ' 511' ' ' MET . 16.6 p -87.89 169.4 12.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.831 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.88 HG23 ' CE2' ' A' ' 513' ' ' PHE . 39.7 p -58.39 -44.97 89.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 75.7 tttt -58.38 -41.61 85.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -60.09 -36.42 77.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.607 ' HB2' HD11 ' A' ' 493' ' ' LEU . 75.7 mt -61.39 -41.54 97.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 474' ' ' LEU . 2.3 tm? -66.24 -41.42 90.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -63.04 -35.46 80.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.34 -36.64 76.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -101.98 30.36 4.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.964 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -58.34 -31.02 67.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 54.4 p -157.29 75.8 0.82 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.0 tttp -123.91 143.77 50.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -61.17 85.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 62.5 p -125.81 -41.17 1.99 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 99.87 -23.91 34.22 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.554 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 47.6 mt -89.78 141.22 28.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.801 0.334 . . . . 0.0 110.885 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 47.4 m -64.1 154.43 34.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.825 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 24.0 m -59.65 -37.8 79.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -61.8 -40.16 94.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -62.48 -37.08 84.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.948 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 48.5 m -60.45 -35.93 77.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 38.4 t -61.24 -44.93 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -60.2 -46.29 90.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 33.2 t -73.2 -39.13 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' ' 473' ' ' LEU . 9.1 tt -59.98 -38.68 83.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.951 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.73 69.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -78.3 -32.52 49.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.052 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.727 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.0 tt -76.73 -46.61 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.578 ' CD1' HG22 ' A' ' 470' ' ' THR . 39.1 mt -61.59 -45.12 95.47 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.291 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.29 -43.1 96.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.981 -179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 57.7 ttm-85 -60.65 -47.26 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.643 HD23 ' O ' ' A' ' 500' ' ' LEU . 5.6 tt -72.55 -38.37 67.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 15.1 t-20 57.67 63.08 4.94 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 36.1 Cg_exo -60.97 153.75 61.61 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.538 2.159 . . . . 0.0 112.128 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -59.47 142.35 52.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.785 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 36.4 ptt-85 -113.83 134.51 54.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.033 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -134.76 145.61 48.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.725 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.6 ttm -94.81 103.59 15.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -120.49 121.11 64.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.985 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 56.86 43.6 24.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.851 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 59.52 36.03 22.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -141.2 150.74 43.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.831 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.732 ' O ' HG22 ' A' ' 469' ' ' THR . 68.5 mtm -94.99 131.11 41.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -129.97 157.52 42.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.88 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.4 m-85 -107.42 125.73 51.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.84 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.6 t -125.99 144.5 50.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.48 136.26 53.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -102.76 120.1 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.194 -0.907 . . . . 0.0 110.931 179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 51.8 t0 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.861 0.362 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 21.9 t -116.61 135.48 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.27 149.52 32.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.4 HG22 ' CG1' ' A' ' 492' ' ' VAL . 4.6 m -64.01 137.06 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 30.0 m -79.45 124.45 28.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.645 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.9 tt0 -68.21 -36.34 79.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -67.45 -39.01 85.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.89 -50.16 45.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.411 HG13 ' N ' ' A' ' 460' ' ' ARG . 13.4 p -59.14 -40.57 81.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.732 ' HG3' HD13 ' A' ' 515' ' ' LEU . 56.6 ttp180 -60.58 -36.55 78.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -57.95 -41.5 82.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.124 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.438 ' CE1' ' CE ' ' A' ' 476' ' ' LYS . 97.6 m-85 -64.93 -44.98 87.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.104 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 79.2 mt -66.63 -36.22 82.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.014 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.6 p -70.24 -30.28 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.76 -47.53 11.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.032 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 1.9 tmtt? -146.03 141.72 16.92 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.951 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.58 129.79 18.41 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.523 2.149 . . . . 0.0 112.201 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 83.1 mtp -135.32 149.64 49.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.976 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.747 HG22 ' O ' ' A' ' 511' ' ' MET . 27.2 p -84.16 167.29 16.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.802 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.946 HG23 ' CE2' ' A' ' 513' ' ' PHE . 26.9 p -56.8 -43.74 81.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.029 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp -60.06 -41.17 91.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.69 -37.15 86.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.043 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.406 ' CD1' HD21 ' A' ' 497' ' ' LEU . 72.6 mt -60.12 -41.36 92.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.994 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.561 HD12 HG12 ' A' ' 490' ' ' VAL . 6.0 tt -66.58 -47.13 73.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -65.52 -35.92 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.438 ' CE ' ' CE1' ' A' ' 462' ' ' TYR . 37.9 tptt -59.3 -41.2 88.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -103.46 26.13 8.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.013 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.4 -37.38 77.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.977 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 479' ' ' THR . 3.1 t -153.19 86.56 1.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -140.89 67.87 1.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp 60.67 35.06 19.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 68.2 p -112.26 -68.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.98 26.75 57.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.525 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 484' ' ' LEU . 3.0 mm? -101.4 139.61 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.812 0.339 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 51.1 m -63.78 162.11 14.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.781 ' O ' HG22 ' A' ' 490' ' ' VAL . 22.3 t -57.74 -40.37 79.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.991 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.83 -36.13 82.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.426 ' O ' HG23 ' A' ' 492' ' ' VAL . 95.8 mm-40 -77.06 -42.61 37.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 45.1 m -61.77 -50.07 73.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.164 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.781 HG22 ' O ' ' A' ' 486' ' ' SER . 13.3 m -57.49 -43.36 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -56.56 -43.99 80.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.022 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 488' ' ' GLN . 34.9 t -75.34 -44.39 42.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 493' ' ' LEU . 0.2 OUTLIER -64.38 -32.86 74.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.3 73.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -81.73 -42.62 19.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.645 HD11 ' HB2' ' A' ' 456' ' ' GLU . 3.9 tt -57.9 -43.23 84.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.985 0.422 . . . . 0.0 111.114 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 493' ' ' LEU . 72.5 mt -58.03 -32.28 67.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.174 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 12.1 mtmt -60.02 -46.13 90.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.997 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -64.19 -45.92 86.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.534 HD21 ' HG2' ' A' ' 456' ' ' GLU . 88.5 mt -69.73 -38.59 76.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.967 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.434 ' N ' ' HD3' ' A' ' 502' ' ' PRO . 4.2 t-20 53.6 62.75 8.89 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.12 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 501' ' ' ASN . 33.7 Cg_exo -61.16 138.19 76.12 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.53 2.153 . . . . 0.0 112.26 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -64.22 143.67 57.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.726 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -104.34 127.1 51.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.982 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 26.6 mttp -132.81 142.35 48.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 94.3 mmm -96.16 107.32 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.8 mt -122.53 120.83 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 57.43 43.2 23.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 59.78 36.55 22.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 49.7 mttt -139.73 150.57 44.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.747 ' O ' HG22 ' A' ' 469' ' ' THR . 24.1 ptp -93.35 120.84 34.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -123.72 146.88 47.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.946 ' CE2' HG23 ' A' ' 470' ' ' THR . 99.0 m-85 -107.62 129.6 54.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 21.2 t -140.91 143.93 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 460' ' ' ARG . 13.2 mt -119.13 138.88 52.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 1.5 ptpm? -125.26 94.94 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.952 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 17.8 t0 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.826 0.346 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.9 p -106.72 139.12 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -141.92 165.08 28.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 496' ' ' ILE . 22.0 t -65.13 134.44 29.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.525 ' C ' HD11 ' A' ' 496' ' ' ILE . 44.8 m -86.73 136.36 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.585 ' HB3' HD21 ' A' ' 500' ' ' LEU . 55.7 mp0 -64.15 -39.31 93.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -63.71 -37.39 87.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.7 -46.68 84.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.184 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.695 HG12 ' CD1' ' A' ' 463' ' ' LEU . 31.4 t -69.93 -37.64 73.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.089 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 464' ' ' THR . 75.9 ttt180 -57.63 -38.76 75.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.076 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -59.33 -37.68 78.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 25.5 m-85 -70.47 -48.71 54.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.695 ' CD1' HG12 ' A' ' 459' ' ' VAL . 5.3 mp -65.53 -39.79 92.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.04 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.563 HG23 ' O ' ' A' ' 460' ' ' ARG . 38.2 p -64.68 -23.5 67.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.17 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -80.37 -65.26 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.986 0.422 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 2.5 pttp -146.22 145.02 22.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -56.84 133.86 60.72 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.453 2.102 . . . . 0.0 112.198 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 22.8 mtm -141.64 158.66 43.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 512' ' ' HIS . 30.0 p -97.77 164.12 12.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.747 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.699 ' HA ' HD12 ' A' ' 473' ' ' LEU . 0.8 OUTLIER -61.17 -31.04 70.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -51.45 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.157 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -70.31 -31.06 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.028 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.766 ' HB3' HD11 ' A' ' 493' ' ' LEU . 80.9 mt -60.35 -42.67 96.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.775 HD23 HD13 ' A' ' 493' ' ' LEU . 89.8 mt -65.98 -43.69 87.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.843 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -64.65 -31.07 72.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 54.5 tptt -57.03 -40.81 77.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.051 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CD1' ' HD2' ' A' ' 480' ' ' LYS . 98.5 m-85 -101.12 22.35 12.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.101 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -66.08 -40.34 90.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.02 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.7 p -120.19 28.08 8.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.091 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.44 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 54.7 mttm -101.78 155.01 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.704 ' O ' HG23 ' A' ' 482' ' ' THR . 0.3 OUTLIER -60.1 125.3 23.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.704 HG23 ' O ' ' A' ' 481' ' ' LYS . 0.2 OUTLIER -178.45 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.733 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.04 24.81 68.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.615 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.435 HD13 HG21 ' A' ' 492' ' ' VAL . 61.8 mt -113.42 137.58 51.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.819 0.342 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 50.7 m -64.95 161.27 18.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 23.4 m -57.84 -41.24 81.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -71.52 -43.04 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -64.19 -33.75 76.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 56.2 m -58.18 -36.51 73.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.708 HG22 ' CD1' ' A' ' 474' ' ' LEU . 28.0 t -59.57 -45.13 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -62.12 -43.77 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.435 HG21 HD13 ' A' ' 484' ' ' LEU . 37.3 t -71.4 -44.33 71.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.775 HD13 HD23 ' A' ' 474' ' ' LEU . 8.2 tt -60.24 -35.32 75.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.95 -31.66 72.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -80.48 -42.01 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 455' ' ' THR . 3.0 tt -59.63 -42.61 88.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.028 -179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.572 HD11 HD21 ' A' ' 493' ' ' LEU . 72.3 mt -66.93 -33.81 76.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -59.52 -47.18 86.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -64.44 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.585 HD21 ' HB3' ' A' ' 456' ' ' GLU . 79.8 mt -65.55 -36.21 83.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.403 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 6.1 t-20 56.67 53.66 7.31 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.935 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.403 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.7 Cg_endo -70.8 140.13 38.13 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.572 2.181 . . . . 0.0 112.335 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -62.24 144.6 55.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -103.91 125.39 50.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -128.38 140.89 51.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.2 mtm -98.25 111.76 23.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 3.6 mp -121.09 122.57 67.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 57.64 42.58 23.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.4 t0 60.38 33.02 20.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -132.6 151.84 51.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 51.5 ttm -94.29 121.66 36.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.472 ' CD2' HG23 ' A' ' 469' ' ' THR . 70.3 m80 -131.49 151.87 51.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.418 ' HB3' HD23 ' A' ' 463' ' ' LEU . 97.1 m-85 -105.27 127.38 52.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -136.42 139.1 42.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.96 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.416 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.9 mt -123.19 137.02 54.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -116.93 97.84 6.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.954 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.9 136.03 55.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -112.99 161.03 17.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -98.29 136.24 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.543 HG22 ' H ' ' A' ' 457' ' ' ASP . 38.1 m -98.8 138.37 36.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.42 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.2 tt0 -60.91 -34.68 75.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.543 ' H ' HG22 ' A' ' 455' ' ' THR . 87.8 m-20 -60.26 -35.69 76.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.963 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.42 -43.69 92.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.223 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.606 HG11 HD21 ' A' ' 497' ' ' LEU . 30.5 t -64.66 -36.79 78.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.495 ' O ' HG23 ' A' ' 464' ' ' THR . 39.4 ttm180 -57.7 -39.95 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.185 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -60.09 -40.5 89.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.045 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -68.86 -46.48 68.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.444 HD22 ' C ' ' A' ' 513' ' ' PHE . 55.8 mt -67.42 -35.86 80.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 460' ' ' ARG . 13.4 p -65.89 -30.95 71.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -76.98 -65.03 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 3.5 pttm -146.05 152.8 48.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.35 132.12 48.97 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.527 2.152 . . . . 0.0 112.241 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 97.7 mmm -134.82 150.97 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 511' ' ' MET . 24.6 p -92.81 164.53 13.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.774 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.806 HG23 ' CE1' ' A' ' 513' ' ' PHE . 48.3 p -58.92 -46.61 87.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -62.8 -40.65 98.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.021 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -60.23 -36.91 78.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.039 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.77 -40.66 88.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.007 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.612 HD11 ' CA ' ' A' ' 490' ' ' VAL . 4.1 mm? -60.15 -44.2 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 31.4 tttt -58.93 -40.37 84.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.953 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -59.86 -37.26 78.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -100.65 26.79 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.838 ' HG2' HG23 ' A' ' 479' ' ' THR . 63.1 tt0 -101.55 123.63 45.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.838 HG23 ' HG2' ' A' ' 478' ' ' GLN . 6.6 p 56.23 32.62 20.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.065 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -85.24 -70.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -169.07 33.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 21.4 p -115.5 -37.67 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 73.5 25.31 72.88 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.553 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 53.1 mt -107.29 143.31 35.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 54.7 p -68.75 162.33 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 22.7 t -58.66 -38.25 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -61.13 -36.69 80.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.671 ' O ' HG23 ' A' ' 492' ' ' VAL . 98.6 mm-40 -76.78 -44.41 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.673 ' O ' HD23 ' A' ' 493' ' ' LEU . 33.4 m -67.18 -45.2 77.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.612 ' CA ' HD11 ' A' ' 474' ' ' LEU . 1.8 p -58.82 -46.58 90.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.072 0.463 . . . . 0.0 111.042 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . 0.474 ' N ' ' CG1' ' A' ' 490' ' ' VAL . 20.4 t-20 -56.79 -41.57 77.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.671 HG23 ' O ' ' A' ' 488' ' ' GLN . 39.4 t -71.74 -41.81 70.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.005 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -61.43 -35.01 76.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -64.58 -36.04 82.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -80.08 -45.11 18.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.057 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.461 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.88 -45.78 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.019 0.438 . . . . 0.0 111.022 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.606 HD21 HG11 ' A' ' 459' ' ' VAL . 93.4 mt -66.86 -32.89 74.45 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.95 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.41 -47.54 83.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -64.13 -41.39 97.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.815 HD21 ' CD1' ' A' ' 515' ' ' LEU . 32.4 tp -62.04 -38.48 88.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.22 54.42 7.1 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.64 139.49 40.76 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.592 2.195 . . . . 0.0 112.378 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.68 146.12 54.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.15 140.4 52.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -130.39 145.85 51.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.9 mtt -92.55 104.25 16.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.903 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.1 mt -120.96 120.58 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 56.22 43.87 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.66 31.34 20.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 71.6 mttt -135.59 149.52 49.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.589 ' O ' HG22 ' A' ' 469' ' ' THR . 0.2 OUTLIER -95.51 128.57 42.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -129.19 145.96 51.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.806 ' CE1' HG23 ' A' ' 470' ' ' THR . 97.4 m-85 -111.14 137.19 49.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.7 t -141.99 141.66 32.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.815 ' CD1' HD21 ' A' ' 500' ' ' LEU . 0.1 OUTLIER -131.39 124.84 31.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -92.54 129.88 38.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 49.8 tp10 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.912 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.835 0.35 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.849 HG13 HG22 ' A' ' 482' ' ' THR . 13.0 p -106.63 136.8 40.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -141.98 168.04 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 27.5 t -98.99 134.02 39.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.022 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.67 HG23 ' H ' ' A' ' 458' ' ' ALA . 13.2 t -131.77 154.16 49.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.657 ' OE2' HD13 ' A' ' 500' ' ' LEU . 84.1 tt0 -64.0 -34.91 79.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -58.72 -41.04 85.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.008 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.67 ' H ' HG23 ' A' ' 455' ' ' THR . . . -64.57 -43.01 95.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 31.3 t -68.42 -40.13 81.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.4 -42.25 86.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 65.6 mtp85 -62.28 -40.64 96.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.016 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.433 ' CE2' ' HE2' ' A' ' 476' ' ' LYS . 24.9 m-85 -67.26 -44.75 78.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.016 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.752 ' HB2' HD11 ' A' ' 515' ' ' LEU . 32.0 mt -66.75 -36.2 81.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.98 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 515' ' ' LEU . 1.3 p -64.24 -32.34 73.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -77.93 -53.4 7.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -146.06 147.36 31.6 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.34 133.41 20.9 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.604 2.203 . . . . 0.0 112.24 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.824 ' CE ' HD23 ' A' ' 473' ' ' LEU . 8.2 ptm -136.9 149.49 47.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 511' ' ' MET . 19.0 p -84.03 169.03 15.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.637 HG23 ' HE2' ' A' ' 513' ' ' PHE . 40.9 p -58.01 -45.36 87.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.082 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -58.44 -39.75 80.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.042 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.37 -37.56 83.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.824 HD23 ' CE ' ' A' ' 468' ' ' MET . 81.6 mt -61.08 -44.5 97.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.805 HD11 HG22 ' A' ' 490' ' ' VAL . 84.0 mt -66.72 -41.83 87.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.58 -38.19 89.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.433 ' HE2' ' CE2' ' A' ' 462' ' ' TYR . 46.9 tttp -59.55 -34.88 73.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -98.33 30.59 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.47 ' O ' HG22 ' A' ' 479' ' ' THR . 62.8 tt0 -99.55 160.24 14.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.979 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.47 HG22 ' O ' ' A' ' 478' ' ' GLN . 15.3 t 45.26 40.81 5.48 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.474 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -107.73 164.47 12.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -57.86 -25.7 61.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.849 HG22 HG13 ' A' ' 452' ' ' VAL . 29.8 p -54.23 -40.99 68.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.036 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.09 37.5 93.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.608 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.75 HD23 ' HB ' ' A' ' 482' ' ' THR . 3.8 mm? -93.18 133.1 36.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 45.0 m -63.18 154.69 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.72 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.1 m -59.28 -36.91 76.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -71.39 -42.94 67.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -63.43 -38.76 92.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.451 ' O ' HD23 ' A' ' 493' ' ' LEU . 46.8 m -61.74 -40.82 96.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.805 HG22 HD11 ' A' ' 474' ' ' LEU . 38.3 t -61.08 -42.67 94.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.041 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -59.39 -44.34 92.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.0 t -71.29 -50.81 38.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 489' ' ' THR . 4.2 mm? -63.17 -36.47 83.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.031 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -59.54 -41.02 89.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.2 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.75 -34.76 77.46 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.951 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 497' ' ' LEU . 0.3 OUTLIER -78.06 -50.75 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 473' ' ' LEU . 77.1 mt -60.07 -39.54 86.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -61.29 -49.3 77.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.68 -42.18 95.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.756 HD21 ' CD2' ' A' ' 515' ' ' LEU . 36.1 tp -61.73 -38.63 88.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 56.73 57.8 8.57 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.82 142.9 59.15 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.63 2.22 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -60.55 147.62 40.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.435 ' HG2' ' CE1' ' A' ' 513' ' ' PHE . 61.2 mtp180 -111.88 134.53 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -127.84 143.37 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.9 mtp -99.77 101.59 12.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.2 mt -120.29 121.9 66.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.004 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 57.72 43.06 22.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.3 t0 61.03 31.28 19.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -135.24 151.19 50.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 469' ' ' THR . 1.4 mpp? -94.46 130.48 40.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -130.51 146.8 52.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.637 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -108.02 130.34 55.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.2 t -147.73 147.48 29.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.756 ' CD2' HD21 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -137.94 93.79 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.079 0.466 . . . . 0.0 110.635 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 18.0 ttmt -72.9 120.09 18.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.894 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.253 -0.879 . . . . 0.0 110.881 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.83 0.347 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.461 HG11 ' HA ' ' A' ' 482' ' ' THR . 22.7 t -116.1 133.05 63.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.06 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -142.01 159.61 41.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.6 t -111.09 135.01 51.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 51.3 m -102.27 125.86 49.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.417 ' HB2' HD11 ' A' ' 496' ' ' ILE . 84.3 tt0 -69.55 -37.56 77.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -59.94 -38.14 81.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.973 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -60.74 -37.69 82.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.087 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 37.3 t -64.69 -40.73 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.721 ' HG3' HD22 ' A' ' 515' ' ' LEU . 18.7 ttp-105 -58.85 -37.16 75.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.049 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -58.47 -41.92 86.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.02 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.421 ' CE1' ' HE2' ' A' ' 476' ' ' LYS . 98.4 m-85 -68.84 -42.05 77.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.97 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.588 HD22 ' O ' ' A' ' 513' ' ' PHE . 67.5 mt -66.13 -36.09 82.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 1.7 p -66.49 -33.28 75.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -82.57 -58.54 2.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.11 138.5 13.73 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.828 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.15 134.81 37.98 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.433 2.089 . . . . 0.0 112.215 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 87.6 mtp -133.97 159.04 41.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.514 HG23 ' H ' ' A' ' 472' ' ' ASP . 1.7 t -101.25 163.46 12.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.775 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.723 HG23 ' HE2' ' A' ' 513' ' ' PHE . 25.7 p -55.25 -43.56 74.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.139 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -59.78 -43.35 94.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.514 ' H ' HG23 ' A' ' 469' ' ' THR . 51.7 t0 -65.3 -36.39 83.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.37 -41.55 93.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.028 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 75.2 mt -56.81 -50.82 71.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.041 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -62.33 -37.85 87.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.421 ' HE2' ' CE1' ' A' ' 462' ' ' TYR . 46.6 tptt -60.3 -38.3 83.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.038 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -101.02 29.86 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -110.29 135.68 50.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.002 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 12.0 p 54.93 30.4 13.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.207 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -106.04 -46.74 4.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -168.23 -43.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.461 ' HA ' HG11 ' A' ' 452' ' ' VAL . 62.7 p -64.16 135.39 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -116.16 27.59 8.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.529 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.8 mt -87.49 150.45 23.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 39.6 m -59.1 153.69 17.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.541 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.0 m -59.15 -39.42 82.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -65.09 -42.28 94.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -64.92 -37.94 89.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 493' ' ' LEU . 43.8 m -60.14 -40.63 90.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.946 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 486' ' ' SER . 32.5 t -62.86 -42.34 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -59.0 -44.13 91.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -69.75 -44.16 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.069 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.607 HD12 HG22 ' A' ' 489' ' ' THR . 9.6 mt -63.2 -40.69 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -63.85 -42.03 97.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.19 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -73.23 -40.61 64.55 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.15 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.45 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.7 tt -72.62 -44.93 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.211 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 54.7 mt -62.1 -42.14 98.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.163 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -60.31 -42.07 94.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.977 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.94 -38.92 89.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.9 -36.39 83.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 49.5 t30 58.0 53.91 5.92 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 61.4 Cg_endo -73.18 147.94 43.38 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.596 2.197 . . . . 0.0 112.361 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.72 147.27 38.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.5 130.57 54.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -133.21 149.31 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 12.5 ptm -111.93 101.88 10.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.6 mt -117.56 124.48 73.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.081 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.18 43.42 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 50.1 t0 60.58 30.77 19.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -134.65 145.68 48.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 87.3 mtp -88.48 125.68 34.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 76.5 m80 -127.57 156.26 42.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.723 ' HE2' HG23 ' A' ' 470' ' ' THR . 97.5 m-85 -110.97 142.65 42.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.851 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.4 t -147.61 142.67 27.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.721 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.1 OUTLIER -118.22 126.42 52.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 17.7 ttmm -100.65 127.51 47.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.95 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.827 0.346 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 14.6 p -107.61 141.24 23.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -107.23 164.11 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.483 HG12 ' CE1' ' A' ' 477' ' ' PHE . 3.6 m -59.25 133.49 24.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.177 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 17.6 p -121.97 156.64 33.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.767 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.6 tt0 -64.81 -34.27 77.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -68.4 -38.96 81.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -69.67 -49.62 51.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.257 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.473 ' CG1' HD11 ' A' ' 500' ' ' LEU . 12.5 p -59.01 -40.79 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.506 ' HG3' HD13 ' A' ' 515' ' ' LEU . 39.7 ttm180 -61.14 -35.19 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 52.9 ttt85 -57.19 -41.96 80.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.068 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -67.92 -45.48 74.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.967 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 12.3 mt -66.96 -34.96 78.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.452 HG21 ' HG3' ' A' ' 517' ' ' GLU . 2.1 p -65.11 -29.73 70.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.31 -65.0 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 13.4 pttt -146.09 147.49 31.98 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -55.93 132.72 53.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.434 2.089 . . . . 0.0 112.276 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.407 ' HE3' HD23 ' A' ' 473' ' ' LEU . 53.5 mtm -137.33 162.71 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 21.9 p -94.86 172.43 8.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.963 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 77.7 p -58.34 -48.34 80.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -62.86 -35.61 80.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -59.31 -36.58 75.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.005 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.518 ' HB3' HD11 ' A' ' 493' ' ' LEU . 66.3 mt -61.17 -41.52 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 474' ' ' LEU . 7.2 mp -66.06 -36.09 82.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -57.27 -37.01 71.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -73.63 -30.54 63.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.162 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.483 ' CE1' HG12 ' A' ' 454' ' ' VAL . 76.0 m-85 -102.51 30.61 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.207 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.724 ' O ' HG23 ' A' ' 479' ' ' THR . 67.7 mm-40 -63.29 -40.91 98.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.724 HG23 ' O ' ' A' ' 478' ' ' GLN . 0.6 OUTLIER -173.11 73.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -90.03 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.15 31.49 0.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.7 -42.21 5.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 71.6 25.89 74.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.589 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 71.9 mt -106.59 146.01 31.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.725 0.298 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 28.8 t -61.79 155.75 22.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.42 ' O ' HG23 ' A' ' 490' ' ' VAL . 86.9 p -59.99 -31.74 70.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.07 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -65.03 -36.01 83.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 70.8 m -59.89 -39.5 85.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 486' ' ' SER . 30.6 t -62.76 -43.18 98.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -59.75 -50.26 74.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.009 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.9 t -73.45 -46.4 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.169 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.518 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.5 tt -61.2 -33.71 73.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.973 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.99 73.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.201 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -81.77 -41.78 20.68 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.216 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.767 HD11 ' N ' ' A' ' 456' ' ' GLU . 3.4 tt -58.49 -43.91 87.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.989 0.423 . . . . 0.0 111.087 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.447 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 75.7 mt -57.3 -36.94 71.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.1 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 56.6 mttt -59.34 -45.2 92.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -68.61 -38.95 81.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.638 HD21 ' HG2' ' A' ' 456' ' ' GLU . 45.8 mt -62.62 -40.14 96.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.053 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.407 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 25.3 t-20 54.26 53.57 10.4 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.407 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 50.9 Cg_endo -69.33 140.93 45.58 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.641 2.227 . . . . 0.0 112.316 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -63.52 146.75 53.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -95.06 133.89 38.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.94 130.48 35.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.7 ttm -94.67 105.03 16.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.951 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.9 mt -121.26 126.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.021 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.42 42.71 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.932 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 21.8 t70 60.44 31.49 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . 0.431 ' HE2' ' CE1' ' A' ' 512' ' ' HIS . 31.5 ttpt -140.18 143.1 35.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 71.6 mtm -80.44 134.72 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.431 ' CE1' ' HE2' ' A' ' 510' ' ' LYS . 76.8 m80 -133.62 159.1 41.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.779 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -109.52 129.23 55.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 49.2 m -123.02 144.97 48.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.506 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -140.58 142.13 35.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 70.7 tttt -131.91 119.67 21.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . 0.452 ' HG3' HG21 ' A' ' 464' ' ' THR . 96.1 mt-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.859 0.361 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.661 HG11 ' HA ' ' A' ' 482' ' ' THR . 25.1 t -117.34 135.55 57.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -115.92 159.19 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.946 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.2 t -98.5 135.56 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.044 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.571 HG22 ' H ' ' A' ' 457' ' ' ASP . 44.3 m -91.92 139.59 30.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.956 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.86 -34.89 75.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.571 ' H ' HG22 ' A' ' 455' ' ' THR . 50.3 t0 -58.41 -38.29 77.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.022 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -61.23 -43.22 99.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.104 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.55 -42.38 83.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.043 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.43 ' O ' HG23 ' A' ' 464' ' ' THR . 80.3 mtp180 -60.03 -38.52 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 -59.6 -41.2 89.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.035 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -70.92 -43.96 67.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.007 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.608 ' HB2' HD12 ' A' ' 515' ' ' LEU . 50.0 mt -69.07 -33.33 73.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.021 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 460' ' ' ARG . 3.0 p -63.57 -30.33 71.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.946 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 27.7 mmt85 -71.11 -64.99 0.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -145.39 146.4 29.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.918 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.42 113.64 1.64 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.486 2.124 . . . . 0.0 112.089 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 69.8 mtm -129.22 153.54 47.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.816 HG22 ' O ' ' A' ' 511' ' ' MET . 10.4 p -81.43 169.26 17.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.937 HG23 ' CE2' ' A' ' 513' ' ' PHE . 22.5 p -58.51 -42.9 88.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -60.2 -39.47 86.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.47 -35.32 75.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.519 HD12 HD21 ' A' ' 493' ' ' LEU . 53.4 mt -59.08 -39.07 81.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.769 HD23 HD13 ' A' ' 493' ' ' LEU . 80.3 mt -64.51 -41.28 96.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -62.91 -29.81 71.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -92.26 15.93 12.64 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.308 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.439 ' CG ' ' HG3' ' A' ' 480' ' ' LYS . 1.5 t80 -138.91 22.87 2.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.696 0.284 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -84.87 -30.9 24.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.996 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 10.0 t -97.93 30.71 2.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.962 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.439 ' HG3' ' CG ' ' A' ' 477' ' ' PHE . 35.3 mmtt -102.27 146.23 28.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -74.83 84.86 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.661 ' HA ' HG11 ' A' ' 452' ' ' VAL . 56.9 p -128.05 -44.17 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 76.88 24.6 66.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.559 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.448 HD11 ' O ' ' A' ' 452' ' ' VAL . 60.0 mt -112.2 143.03 43.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 26.5 m -60.36 154.95 19.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 490' ' ' VAL . 21.7 t -59.0 -37.89 77.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.932 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.48 -42.24 92.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.69 -37.86 88.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.2 m -60.07 -38.06 81.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.761 HG22 HD11 ' A' ' 474' ' ' LEU . 39.8 t -61.16 -44.64 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.049 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 50.6 t-20 -59.98 -45.88 91.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 32.5 t -72.69 -45.29 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.769 HD13 HD23 ' A' ' 474' ' ' LEU . 7.9 tt -63.25 -34.36 77.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -69.27 -36.15 76.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -79.21 -41.66 27.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.26 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 0.8 OUTLIER -59.12 -42.52 86.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.088 -179.775 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.669 HD13 HG22 ' A' ' 470' ' ' THR . 76.7 mt -59.02 -34.75 72.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 60.0 mttt -58.47 -44.8 89.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -66.34 -40.01 89.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.808 HD21 HD11 ' A' ' 515' ' ' LEU . 28.0 tp -66.19 -37.56 85.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.405 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 3.9 t30 57.27 54.1 6.84 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 56.1 Cg_endo -70.38 144.64 51.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.545 2.163 . . . . 0.0 112.343 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.05 147.31 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -113.07 140.84 47.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -130.93 145.29 51.98 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.784 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 51.3 ttm -108.66 98.7 8.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.852 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 45.0 mt -119.78 123.63 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.042 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 27.0 t30 57.88 42.44 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 59.15 35.94 23.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.865 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -136.12 144.7 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.816 ' O ' HG22 ' A' ' 469' ' ' THR . 88.5 mtp -87.09 126.16 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -127.44 150.26 49.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.937 ' CE2' HG23 ' A' ' 470' ' ' THR . 98.5 m-85 -111.01 126.47 54.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 48.6 m -126.19 144.89 50.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.808 HD11 HD21 ' A' ' 500' ' ' LEU . 15.0 mt -128.98 148.89 50.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.962 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 14.9 pttt -121.4 94.9 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.169 -0.92 . . . . 0.0 110.943 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.5 t0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.833 0.349 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 13.8 p -107.31 140.57 25.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -112.22 155.03 24.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 30.2 t -63.78 137.43 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.043 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.492 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.6 m -113.59 142.62 45.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.533 ' O ' HD21 ' A' ' 500' ' ' LEU . 99.2 mt-10 -60.01 -39.26 85.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.492 ' H ' HG22 ' A' ' 455' ' ' THR . 90.6 m-20 -63.36 -37.89 89.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.017 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.91 75.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.264 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 25.5 t -69.16 -36.5 73.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.63 ' HG3' HD13 ' A' ' 515' ' ' LEU . 74.2 ttt180 -57.84 -39.75 78.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.161 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -58.11 -41.32 83.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -63.36 -41.32 98.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.005 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.433 HD13 ' CB ' ' A' ' 502' ' ' PRO . 58.5 mt -67.49 -35.61 79.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -32.69 71.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -73.12 -65.1 0.85 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.02 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -146.05 146.22 27.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.866 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -56.25 126.7 23.2 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.476 2.117 . . . . 0.0 112.098 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 84.9 mtp -129.92 168.96 15.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.008 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.529 HG23 ' H ' ' A' ' 472' ' ' ASP . 11.2 t -120.87 164.44 16.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.697 HG22 HD13 ' A' ' 497' ' ' LEU . 23.7 p -53.44 -42.94 67.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -59.92 -43.93 94.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.529 ' H ' HG23 ' A' ' 469' ' ' THR . 94.1 m-20 -67.91 -38.54 83.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.507 HD23 ' HE3' ' A' ' 476' ' ' LYS . 90.3 mt -67.22 -40.31 86.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.757 HD21 HG22 ' A' ' 490' ' ' VAL . 0.3 OUTLIER -59.14 -44.61 92.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 18.7 pttt -77.92 -35.25 50.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.507 ' HE3' HD23 ' A' ' 473' ' ' LEU . 22.9 ttpp -60.57 -39.2 87.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.998 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.44 ' CZ ' ' CG2' ' A' ' 482' ' ' THR . 55.0 t80 -133.8 62.04 1.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.78 -42.28 98.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 2.8 t 179.08 76.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' A' ' 477' ' ' PHE . 86.5 mttt -102.82 110.13 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 15.2 tttt 57.4 24.13 9.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 477' ' ' PHE . 38.8 p -96.8 -35.22 11.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.927 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 67.29 23.19 73.23 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.525 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 49.9 mt -120.0 149.07 42.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 41.1 m -59.66 151.56 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.591 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.7 t -59.35 -37.55 78.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -62.51 -40.59 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -62.91 -39.13 93.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 42.1 m -63.5 -37.31 86.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.757 HG22 HD21 ' A' ' 474' ' ' LEU . 26.8 t -61.9 -44.78 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -59.82 -48.22 82.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 27.2 t -72.14 -44.12 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 7.9 tt -59.94 -36.98 78.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.007 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -74.33 -35.45 63.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -81.25 -27.58 35.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.253 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 2.2 tt -78.06 -45.44 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.98 0.419 . . . . 0.0 111.2 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.697 HD13 HG22 ' A' ' 470' ' ' THR . 66.9 mt -56.22 -47.06 79.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.415 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -59.22 -38.47 80.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.039 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -65.48 -38.65 90.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.533 HD21 ' O ' ' A' ' 456' ' ' GLU . 5.1 mp -65.5 -40.38 92.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 37.1 t30 55.76 58.14 9.97 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.841 ' HB3' HD12 ' A' ' 515' ' ' LEU . 94.8 Cg_endo -80.01 51.37 3.87 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.817 2.344 . . . . 0.0 112.733 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 49.45 -176.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.877 0.37 . . . . 0.0 111.229 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -138.01 127.24 24.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -133.71 144.98 49.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 50.5 ttm -111.04 107.72 17.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.1 mt -119.98 125.26 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 57.76 42.66 23.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 58.92 37.84 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -137.08 147.28 46.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.17 110.01 16.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -116.4 164.4 14.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 502' ' ' PRO . 99.3 m-85 -118.73 168.66 10.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.8 t -165.89 130.7 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.841 HD12 ' HB3' ' A' ' 502' ' ' PRO . 0.1 OUTLIER -119.3 131.62 55.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 38.9 mttp -98.49 128.6 44.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.209 -0.901 . . . . 0.0 110.894 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.3 t0 . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.845 0.355 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.4 t -114.42 135.38 54.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -119.02 158.57 25.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 22.4 t -110.93 136.79 45.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.784 HG23 ' H ' ' A' ' 458' ' ' ALA . 12.5 t -131.77 153.0 50.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.728 ' N ' HD11 ' A' ' 496' ' ' ILE . 84.1 tt0 -63.8 -37.6 87.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -59.53 -39.51 84.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.991 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.784 ' H ' HG23 ' A' ' 455' ' ' THR . . . -67.9 -46.09 72.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.116 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.55 ' O ' HD12 ' A' ' 463' ' ' LEU . 30.3 t -64.6 -44.79 96.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.872 ' O ' HG23 ' A' ' 464' ' ' THR . 75.6 ttt180 -58.86 -36.86 75.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.987 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -56.69 -40.41 75.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.415 ' CE1' ' HE3' ' A' ' 476' ' ' LYS . 95.0 m-85 -66.65 -40.08 88.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.052 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 515' ' ' LEU . 5.1 mp -66.68 -36.44 82.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.027 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.872 HG23 ' O ' ' A' ' 460' ' ' ARG . 19.5 p -59.68 -26.39 65.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 75.7 mtt85 -79.1 -65.03 1.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.928 0.394 . . . . 0.0 110.997 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 153.08 49.04 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.19 142.51 78.01 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.525 2.15 . . . . 0.0 112.319 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . 0.413 ' HE3' ' OD2' ' A' ' 472' ' ' ASP . 85.3 mtp -138.22 168.34 19.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 472' ' ' ASP . 4.4 t -122.26 165.01 16.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . . . . . . . . . 40.3 p -54.99 -45.33 75.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 22.4 ttmt -59.35 -41.53 89.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.953 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . 0.563 ' H ' HG23 ' A' ' 469' ' ' THR . 62.7 t0 -62.89 -35.01 78.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.0 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.516 ' HB3' HD11 ' A' ' 493' ' ' LEU . 76.1 mt -58.94 -45.42 90.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 78.9 mt -67.47 -42.1 83.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 25.8 mtpp -60.96 -32.55 72.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.415 ' HE3' ' CE1' ' A' ' 462' ' ' TYR . 14.6 tptp -60.83 -35.36 76.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.075 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -105.06 15.23 27.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.475 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -72.7 -31.16 64.8 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.82 0.343 . . . . 0.0 110.931 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 30.8 p -101.62 24.89 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -130.48 136.31 48.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -96.91 101.19 12.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.942 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 55.9 p -89.82 -24.96 21.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 108.55 -25.95 17.86 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.511 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 52.9 mt -98.29 148.47 23.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.787 0.327 . . . . 0.0 110.865 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 34.4 m -59.41 157.88 10.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 85.8 p -59.29 -34.12 71.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.21 -38.32 90.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -62.04 -35.92 80.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.2 m -59.4 -37.28 77.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.1 t -63.76 -38.95 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -58.91 -48.2 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 493' ' ' LEU . 2.0 p -76.57 -46.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.069 0.461 . . . . 0.0 110.864 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 473' ' ' LEU . 7.7 tt -59.71 -30.61 68.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -75.21 -37.47 61.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -77.49 -32.49 54.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.728 HD11 ' N ' ' A' ' 456' ' ' GLU . 2.8 tt -69.68 -43.3 80.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.989 0.423 . . . . 0.0 111.075 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 81.0 mt -61.41 -46.92 88.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.228 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -60.01 -42.95 95.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.969 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -67.92 -40.19 83.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.827 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.922 HD21 HD11 ' A' ' 515' ' ' LEU . 41.7 tp -63.83 -36.46 83.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.409 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 12.0 t-20 58.79 53.67 4.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 61.6 Cg_endo -73.17 150.49 47.81 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.564 2.176 . . . . 0.0 112.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -60.12 146.46 43.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HG2' ' CE2' ' A' ' 513' ' ' PHE . 77.5 mtm180 -112.85 138.36 49.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.0 133.33 6.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 71.0 mtm -89.6 116.69 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.9 mt -122.94 123.88 69.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 57.13 44.07 23.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 60.83 33.55 19.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.819 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -140.03 151.39 45.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -89.08 121.25 31.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -128.77 142.57 50.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.43 ' CE2' ' HG2' ' A' ' 504' ' ' ARG . 91.5 m-85 -110.29 130.62 55.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 56.4 m -123.6 145.15 49.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.922 HD11 HD21 ' A' ' 500' ' ' LEU . 10.5 mt -133.38 134.61 43.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -120.43 94.97 4.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.86 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.907 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.896 0.379 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.493 HG22 ' N ' ' A' ' 453' ' ' GLN . 8.3 p -114.67 163.32 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . 0.936 ' HA ' HG22 ' A' ' 482' ' ' THR . 47.4 tt0 -61.72 159.37 13.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.958 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.744 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 18.6 t -56.7 130.24 19.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.321 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 459' ' ' VAL . 41.2 m -135.93 153.81 51.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.738 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.69 ' O ' HD21 ' A' ' 500' ' ' LEU . 59.0 mp0 -58.34 -44.17 88.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.909 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -74.98 -33.65 61.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.981 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -58.66 -46.36 87.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.852 HG11 ' CD2' ' A' ' 497' ' ' LEU . 35.5 t -65.28 -40.53 88.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.063 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.584 ' HG3' HD13 ' A' ' 515' ' ' LEU . 70.6 ttt180 -58.23 -40.22 81.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.28 -38.26 89.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.431 ' CD1' ' HE2' ' A' ' 476' ' ' LYS . 19.0 m-85 -71.03 -47.69 57.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.934 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.562 HD22 ' O ' ' A' ' 513' ' ' PHE . 71.1 mt -64.23 -33.61 76.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 460' ' ' ARG . 2.6 p -65.78 -31.43 72.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -80.13 -58.88 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -146.09 143.62 19.78 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.56 138.84 66.79 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.454 2.103 . . . . 0.0 112.205 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 93.1 mmm -130.71 157.64 42.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.444 ' CG2' ' CD2' ' A' ' 512' ' ' HIS . 18.7 p -113.76 164.14 14.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.661 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.585 HG23 ' HE2' ' A' ' 513' ' ' PHE . 68.7 p -57.99 -48.91 78.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -66.07 -42.96 88.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -61.58 -37.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.12 -40.48 97.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . . . . . . . . . 22.7 tp -58.3 -45.37 88.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 37.5 tttm -65.15 -32.18 73.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.431 ' HE2' ' CD1' ' A' ' 462' ' ' TYR . 17.3 tttp -58.59 -31.44 68.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.071 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 97.7 m-85 -97.14 28.19 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . 0.508 ' HG3' HG23 ' A' ' 479' ' ' THR . 21.5 pt20 -63.28 -39.19 93.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 478' ' ' GLN . 68.0 p -137.49 74.52 1.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . 0.429 ' HD2' ' CD1' ' A' ' 477' ' ' PHE . 82.4 mttt -136.71 160.05 40.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.872 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.75 81.3 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.936 HG22 ' HA ' ' A' ' 453' ' ' GLN . 9.1 p -125.59 -45.44 1.78 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.807 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 66.3 20.01 68.98 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.566 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.07 146.74 45.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 36.8 m -59.63 156.79 12.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 20.9 t -58.37 -38.15 76.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.83 -37.15 85.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 42.6 mm-40 -62.83 -36.94 84.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 63.1 m -59.54 -35.75 74.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . . . . . . . . . 39.8 t -59.68 -43.61 91.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.184 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 42.0 t30 -66.37 -52.09 50.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 38.9 t -66.03 -47.99 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . . . . . . . . . 28.5 tp -59.92 -37.83 80.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -66.64 -35.2 79.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -82.02 -44.14 17.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.157 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 5.2 tt -58.51 -45.66 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.038 0.447 . . . . 0.0 111.13 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.852 ' CD2' HG11 ' A' ' 459' ' ' VAL . 93.9 mt -65.84 -32.38 73.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.027 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -59.68 -47.34 86.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.059 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -61.01 -39.67 90.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.98 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.69 HD21 ' O ' ' A' ' 456' ' ' GLU . 6.0 mp -65.43 -39.39 92.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 55.06 54.14 9.83 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.082 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 513' ' ' PHE . 50.5 Cg_endo -69.14 145.49 60.86 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.513 2.142 . . . . 0.0 112.347 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -59.57 145.32 44.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.62 138.23 45.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -128.37 143.94 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.5 mtt -100.33 102.58 13.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 43.4 mt -121.73 122.06 65.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.47 41.58 25.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.937 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 61.53 35.99 17.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 35.4 mmtp -137.41 152.31 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.7 mtt -95.53 127.83 41.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.444 ' CD2' ' CG2' ' A' ' 469' ' ' THR . 74.1 m80 -129.67 149.81 51.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.585 ' HE2' HG23 ' A' ' 470' ' ' THR . 98.8 m-85 -106.87 130.77 54.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 28.9 t -139.8 141.1 36.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.584 HD13 ' HG3' ' A' ' 460' ' ' ARG . 6.0 mt -124.25 141.64 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 85.3 mttt -112.0 94.93 5.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.934 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.783 0.325 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . 0.602 HG11 HG22 ' A' ' 482' ' ' THR . 24.4 t -115.21 134.8 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.148 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -130.83 162.0 30.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.949 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.729 HG22 ' CZ ' ' A' ' 477' ' ' PHE . 23.2 t -98.68 136.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.038 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 18.8 p -111.11 150.63 29.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.762 ' OE2' HD13 ' A' ' 500' ' ' LEU . 34.1 tt0 -66.69 -35.21 79.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.21 -36.9 76.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -59.5 -47.21 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.601 HG11 HD21 ' A' ' 497' ' ' LEU . 34.2 t -69.56 -37.41 74.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.822 ' HG3' HD22 ' A' ' 515' ' ' LEU . 39.6 ttm180 -58.02 -38.95 77.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.113 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 70.8 mtt85 -58.67 -39.88 81.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -68.32 -46.18 70.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.078 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 82.9 mt -67.5 -36.7 81.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 2.9 p -64.49 -32.11 73.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.975 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -84.09 -48.45 9.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.028 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -146.05 143.29 19.05 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.934 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.38 127.96 11.58 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.461 2.107 . . . . 0.0 112.254 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 58.5 mtm -139.29 158.03 44.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.039 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . . . . . . . . . 2.2 t -92.73 173.59 7.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.718 HG23 ' HE2' ' A' ' 513' ' ' PHE . 28.9 p -56.74 -43.87 81.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.056 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 47.8 tttp -59.36 -41.78 90.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.92 -37.27 86.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.038 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.601 ' HB3' HD11 ' A' ' 493' ' ' LEU . 81.0 mt -62.16 -38.72 90.11 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.004 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 470' ' ' THR . 4.3 mm? -60.13 -45.77 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -58.76 -38.25 78.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.032 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 10.7 mmpt? -60.1 -29.94 68.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.086 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.729 ' CZ ' HG22 ' A' ' 454' ' ' VAL . 0.6 OUTLIER -96.86 26.74 4.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 -179.833 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -103.12 -30.78 10.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.694 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -109.73 28.14 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -113.4 148.47 35.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . 0.514 ' O ' HG23 ' A' ' 482' ' ' THR . 50.4 tttm -76.97 108.19 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.799 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . 0.618 HG21 ' CZ ' ' A' ' 477' ' ' PHE . 21.2 p -160.04 -44.08 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.773 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 75.46 28.93 60.69 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.538 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 61.0 mt -96.01 144.22 26.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.833 0.349 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 12.7 t -66.83 144.93 56.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.548 ' O ' HG23 ' A' ' 490' ' ' VAL . 22.3 m -59.36 -36.07 75.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.027 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.55 -42.57 82.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.047 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -63.48 -37.43 87.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.991 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 43.8 m -61.16 -40.0 92.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 486' ' ' SER . 28.2 t -64.07 -45.04 97.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.167 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 27.7 m120 -59.93 -46.71 88.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 26.7 t -74.22 -45.28 47.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.601 HD11 ' HB3' ' A' ' 473' ' ' LEU . 8.7 tt -62.6 -35.12 78.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -70.99 -35.21 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.021 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -82.05 -40.96 21.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.257 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 7.6 tt -60.34 -46.76 94.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.982 0.42 . . . . 0.0 111.027 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.601 HD21 HG11 ' A' ' 459' ' ' VAL . 95.0 mt -65.95 -32.26 73.65 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 78.3 tttt -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 3.2 ttm-85 -62.73 -42.61 99.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.762 HD13 ' OE2' ' A' ' 456' ' ' GLU . 28.4 tp -63.35 -36.66 84.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.401 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 53.3 t-20 58.68 54.17 5.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.85 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.442 ' HB3' HD11 ' A' ' 515' ' ' LEU . 55.5 Cg_endo -69.79 144.66 54.59 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.617 2.211 . . . . 0.0 112.325 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 52.8 mp0 -61.62 145.93 50.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -111.26 140.69 45.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.001 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -128.6 145.73 51.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 64.2 mtt -98.46 106.29 18.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . 0.542 HG22 HD22 ' A' ' 508' ' ' ASN . 45.2 mt -122.68 120.73 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . 0.542 HD22 HG22 ' A' ' 507' ' ' ILE . 2.8 m-80 58.1 42.91 21.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 60.66 36.6 19.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -137.75 151.87 48.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 15.3 ptp -92.82 120.61 33.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -124.22 159.8 29.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.718 ' HE2' HG23 ' A' ' 470' ' ' THR . 96.6 m-85 -110.74 134.91 52.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 23.1 t -139.16 136.39 35.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.822 HD22 ' HG3' ' A' ' 460' ' ' ARG . 0.4 OUTLIER -114.59 144.27 43.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.946 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -124.87 94.97 4.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.933 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.8 0.333 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -116.47 135.4 56.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -104.08 143.96 32.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . 0.737 HG13 ' CZ ' ' A' ' 477' ' ' PHE . 32.5 t -61.98 135.47 26.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.039 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . . . . . . . . . 33.6 p -103.2 150.13 23.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.476 ' HG2' HD21 ' A' ' 500' ' ' LEU . 84.8 tt0 -66.23 -38.74 88.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -59.94 -38.37 82.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.0 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 462' ' ' TYR . . . -64.55 -46.34 83.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . . . . . . . . . 29.5 t -62.27 -45.47 98.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.648 ' HG3' HD13 ' A' ' 515' ' ' LEU . 58.9 ttp180 -60.0 -36.36 77.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.975 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -57.93 -41.79 83.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.12 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 458' ' ' ALA . 94.1 m-85 -70.46 -45.03 66.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.071 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 18.1 mt -65.46 -36.08 82.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.023 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . . . . . . . . . 6.6 p -63.36 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -70.12 -64.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.986 0.422 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.05 146.78 29.55 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -56.01 130.63 41.31 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.518 2.146 . . . . 0.0 112.257 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 50.8 mtm -136.55 163.01 31.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 511' ' ' MET . 25.7 p -100.39 172.15 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.808 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.666 HG23 ' HE2' ' A' ' 513' ' ' PHE . 42.7 p -56.91 -46.03 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -60.6 -39.33 87.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -59.86 -37.11 78.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.985 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.558 HD13 HD22 ' A' ' 493' ' ' LEU . 74.0 mt -60.81 -38.1 84.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.914 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.662 HD21 HG22 ' A' ' 490' ' ' VAL . 71.3 mt -62.32 -36.32 81.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 55.7 mttm -60.02 -34.87 73.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -62.89 -33.21 74.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . 0.737 ' CZ ' HG13 ' A' ' 454' ' ' VAL . 98.1 m-85 -110.49 64.54 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -103.77 -63.34 1.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 65.3 p -108.0 27.63 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.044 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -78.11 139.03 39.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.873 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.57 65.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 50.7 p -109.08 -28.68 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.941 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . 78.88 22.85 65.32 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.592 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . . . . . . . . . 62.0 mt -120.03 140.49 50.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 43.9 m -63.61 156.08 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.814 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . . . . . . . . . 21.8 m -58.8 -39.45 81.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -66.78 -39.72 87.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -61.82 -35.64 78.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . 0.507 HG21 ' HB2' ' A' ' 477' ' ' PHE . 47.2 m -59.05 -38.76 80.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.943 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.662 HG22 HD21 ' A' ' 474' ' ' LEU . 39.7 t -61.53 -42.04 92.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.051 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -59.65 -41.7 91.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . . . . . . . . . 39.5 t -69.61 -44.49 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.558 HD22 HD13 ' A' ' 473' ' ' LEU . 3.2 mt -62.52 -41.36 98.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.962 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -58.06 -35.86 71.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -82.0 -48.92 10.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.075 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.471 HG22 ' HA ' ' A' ' 493' ' ' LEU . 1.2 tt -62.58 -42.45 95.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.194 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 473' ' ' LEU . 40.0 mt -56.54 -41.81 77.43 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.175 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 17.2 mtmm -61.19 -39.34 89.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.907 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -64.6 -40.04 94.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.476 HD21 ' HG2' ' A' ' 456' ' ' GLU . 20.9 mt -66.15 -38.37 87.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . 0.417 ' N ' ' CD ' ' A' ' 502' ' ' PRO . 8.2 m120 55.48 52.85 8.21 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.041 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.417 ' CD ' ' N ' ' A' ' 501' ' ' ASN . 64.3 Cg_endo -73.6 145.58 37.54 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.57 2.18 . . . . 0.0 112.308 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -61.96 147.97 45.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -115.49 139.6 49.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.932 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 31.0 mmtp -128.99 144.26 51.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.48 102.35 14.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.973 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 46.7 mt -120.51 121.51 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 57.25 43.4 23.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 22.1 t70 60.41 31.66 20.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -134.19 154.25 51.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . 0.41 ' O ' HG22 ' A' ' 469' ' ' THR . 13.5 ptp -99.86 131.98 45.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -127.86 150.1 50.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.666 ' HE2' HG23 ' A' ' 470' ' ' THR . 93.4 m-85 -108.8 132.34 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 26.9 t -135.25 147.71 49.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.648 HD13 ' HG3' ' A' ' 460' ' ' ARG . 0.5 OUTLIER -138.03 145.8 42.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -113.17 110.62 20.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.886 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.822 0.344 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' VAL . . . . . . . . . . . . . 22.0 t -115.53 133.33 62.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -110.18 141.74 42.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' VAL . . . . . . . . . . . . . 21.8 t -61.87 132.56 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 457' ' ' ASP . 56.0 m -124.79 136.91 54.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' GLU . . . . . 0.423 ' O ' HG12 ' A' ' 459' ' ' VAL . 35.1 tt0 -62.95 -39.07 93.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' ASP . . . . . 0.41 ' H ' HG22 ' A' ' 455' ' ' THR . 88.1 m-20 -71.27 -39.32 71.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.61 74.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 456' ' ' GLU . 14.4 p -61.96 -34.47 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' ARG . . . . . 0.894 ' O ' HG23 ' A' ' 464' ' ' THR . 20.1 ttm180 -59.43 -40.59 87.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -60.32 -38.29 83.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.023 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' TYR . . . . . 0.445 ' CZ ' ' HE3' ' A' ' 476' ' ' LYS . 23.4 m-85 -65.72 -41.75 91.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.019 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.567 HD22 ' O ' ' A' ' 513' ' ' PHE . 13.2 mt -65.18 -37.73 88.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.952 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 460' ' ' ARG . 20.4 p -61.25 -29.41 69.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.965 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -70.03 -65.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 33.4 tttm -146.07 134.73 10.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -55.85 134.55 64.73 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.387 2.058 . . . . 0.0 112.199 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' MET . . . . . . . . . . . . . 5.8 ptp -140.31 151.76 45.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' THR . . . . . 0.761 ' O ' HD12 ' A' ' 473' ' ' LEU . 31.2 p -76.94 165.59 24.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' THR . . . . . 0.528 ' HA ' HD13 ' A' ' 473' ' ' LEU . 49.7 p -58.29 -46.61 85.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.063 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -60.59 -35.2 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.053 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -58.11 -36.18 72.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 469' ' ' THR . 4.4 mp -63.01 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 474' ' ' LEU . 3.5 mm? -60.27 -43.78 95.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.965 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -63.19 -43.31 98.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' LYS . . . . . 0.445 ' HE3' ' CZ ' ' A' ' 462' ' ' TYR . 41.2 tttp -61.39 -38.3 86.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.955 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -103.08 64.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -169.4 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' THR . . . . . . . . . . . . . 9.1 t -71.54 -30.86 66.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.077 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -70.99 -79.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.027 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' LYS . . . . . . . . . . . . . 4.7 tmtt? 178.46 82.85 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.18 104.08 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' GLY . . . . . . . . . . . . . . . -54.07 -24.2 27.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' LEU . . . . . 0.731 HD11 ' CB ' ' A' ' 488' ' ' GLN . 55.1 tp -81.78 140.3 34.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 110.805 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' SER . . . . . . . . . . . . . 52.6 p -62.53 156.58 22.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 490' ' ' VAL . 85.7 p -65.54 -34.89 79.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -65.12 -47.2 77.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLN . . . . . 0.731 ' CB ' HD11 ' A' ' 484' ' ' LEU . 63.0 mt-30 -65.05 -35.2 80.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' THR . . . . . . . . . . . . . 57.6 m -59.27 -37.53 77.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 486' ' ' SER . 31.0 t -59.67 -46.51 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -63.68 -44.21 94.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 488' ' ' GLN . 38.3 t -69.19 -43.44 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.06 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' LEU . . . . . 0.413 HD21 HD11 ' A' ' 497' ' ' LEU . 9.3 tt -61.94 -35.55 78.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.34 69.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.979 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -81.97 -40.79 21.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 497' ' ' LEU . 6.5 tt -61.01 -46.72 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.022 0.439 . . . . 0.0 110.949 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' LEU . . . . . 0.479 ' N ' ' CG2' ' A' ' 496' ' ' ILE . 79.0 mt -63.33 -33.52 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.924 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' LYS . . . . . . . . . . . . . 73.2 tttt -58.46 -49.32 77.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' ARG . . . . . . . . . . . . . 76.1 mtt85 -67.34 -36.96 82.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.687 HD21 ' CD1' ' A' ' 515' ' ' LEU . 39.3 tp -62.01 -36.35 81.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.15 54.32 5.95 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.976 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' PRO . . . . . 0.503 ' HB3' HD11 ' A' ' 515' ' ' LEU . 61.1 Cg_endo -72.96 143.04 35.82 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.606 2.204 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' GLU . . . . . . . . . . . . . 46.1 mp0 -62.55 146.47 51.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -112.04 135.79 52.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -130.67 143.2 50.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' MET . . . . . . . . . . . . . 87.7 mtp -98.03 104.14 16.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.946 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ILE . . . . . . . . . . . . . 44.2 mt -122.29 124.31 70.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.041 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 57.48 42.9 23.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ASP . . . . . . . . . . . . . 51.7 t0 59.54 30.7 20.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -134.36 148.9 50.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' MET . . . . . . . . . . . . . 64.8 mtt -88.12 123.52 32.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' HIS . . . . . 0.662 ' CD2' HG22 ' A' ' 469' ' ' THR . 71.3 m80 -126.45 142.23 51.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' PHE . . . . . 0.567 ' O ' HD22 ' A' ' 463' ' ' LEU . 98.8 m-85 -105.76 126.04 51.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' SER . . . . . . . . . . . . . 67.4 m -131.88 142.91 49.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' LEU . . . . . 0.687 ' CD1' HD21 ' A' ' 500' ' ' LEU . 12.7 mt -132.86 132.33 41.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -117.39 94.97 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.929 179.992 . . . . . . . . 0 0 . 1 stop_ save_