data_2cpy_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 2cpy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.518 ' CD2' HD22 ' A' ' 589' ' ' LEU . 10.3 t-160 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 32.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 547' ' ' HIS . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.477 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.9 t-160 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.444 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.424 ' CD1' ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 39.3 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 547' ' ' HIS . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.429 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.429 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.507 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 624' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 624' ' ' MET . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' A' ' 589' ' ' LEU . 11.2 t-160 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.451 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 597' ' ' ASP . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 57.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 586' ' ' GLY . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 547' ' ' HIS . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.421 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.421 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.416 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . 0.421 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.421 ' HE3' ' CD ' ' A' ' 625' ' ' ARG . 16.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.559 ' CD2' HD21 ' A' ' 589' ' ' LEU . 12.0 t-160 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . 0.454 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.457 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 547' ' ' HIS . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . 0.454 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 624' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.448 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.511 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 13.1 t-160 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.502 ' CB ' ' CG2' ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 28.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' A' ' 547' ' ' HIS . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.551 ' CD2' HD22 ' A' ' 589' ' ' LEU . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' ' 547' ' ' HIS . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 8.8 t-160 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.451 HG22 ' CE1' ' A' ' 592' ' ' PHE . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . 0.584 ' CG2' ' CB ' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.584 ' CB ' ' CG2' ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.408 HD12 ' CB ' ' A' ' 587' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . 0.408 ' CB ' HD12 ' A' ' 577' ' ' LEU . 7.8 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.511 HG13 ' CZ ' ' A' ' 592' ' ' PHE . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.511 ' CZ ' HG13 ' A' ' 590' ' ' VAL . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.44 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.489 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.538 ' CD2' HD23 ' A' ' 589' ' ' LEU . 15.7 t-160 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.53 HG21 ' CE1' ' A' ' 592' ' ' PHE . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 570' ' ' ASP . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . 0.467 ' N ' ' OD2' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 547' ' ' HIS . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.53 ' CE1' HG21 ' A' ' 567' ' ' ILE . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.546 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 590' ' ' VAL . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . 0.455 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.481 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 609' ' ' LEU . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 624' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 624' ' ' MET . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.441 ' CD2' ' HG ' ' A' ' 589' ' ' LEU . 9.2 t-160 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 28.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' A' ' 547' ' ' HIS . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.497 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.467 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . 0.452 ' CD ' ' HA ' ' A' ' 626' ' ' GLU . 19.5 ptpt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.405 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.486 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.3 t-160 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.466 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.495 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 572' ' ' ASN . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 26.0 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.486 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.495 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.405 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 9.2 t-160 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CG ' HG23 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.52 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.9 t-160 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.52 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.3 m120 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . 0.412 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 558' ' ' MET . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.412 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 570' ' ' ASP . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 569' ' ' VAL . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 22.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 547' ' ' HIS . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.525 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.926 0.393 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.607 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.6 t-160 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.607 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 73.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 586' ' ' GLY . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 547' ' ' HIS . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 621' ' ' LEU . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 628' ' ' GLU . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . 0.418 ' CG2' ' HB1' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 30.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 590' ' ' VAL . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 595' ' ' GLU . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.405 ' CG ' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.495 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.495 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.405 HG21 ' CG ' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 10.1 t-80 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 587' ' ' GLN . 61.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . 0.406 ' CB ' HD11 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.548 HG12 ' CZ ' ' A' ' 592' ' ' PHE . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.548 ' CZ ' HG12 ' A' ' 590' ' ' VAL . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.443 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.519 ' CD2' HD23 ' A' ' 589' ' ' LEU . 14.4 t-160 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 547' ' ' HIS . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.543 HG13 ' CZ ' ' A' ' 592' ' ' PHE . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.543 ' CZ ' HG13 ' A' ' 590' ' ' VAL . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 599' ' ' ARG . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.901 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.411 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.632 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 12.2 t-80 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.418 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 558' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 558' ' ' MET . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 560' ' ' VAL . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 40.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.48 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 610' ' ' ASN . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . 0.401 ' CG ' HD22 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.637 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.7 t-160 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 549' ' ' THR . . . . . 0.637 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 558' ' ' MET . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 558' ' ' MET . . . . . 0.449 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 575' ' ' HIS . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 572' ' ' ASN . 8.8 m170 -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 577' ' ' LEU . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 576' ' ' VAL . 28.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . 0.546 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.546 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . 0.412 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 543' ' ' LYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 547' ' ' HIS . . . . . 0.518 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.0 t-160 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 574' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 575' ' ' HIS . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 575' ' ' HIS . . . . . 0.414 ' N ' HG13 ' A' ' 574' ' ' VAL . 10.5 m-70 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 41.6 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 589' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 592' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 593' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 595' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 602' ' ' GLU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 615' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 618' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 621' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 627' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 628' ' ' GLU . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 530' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 529' ' ' GLY . 82.6 p -37.29 -46.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 40.27 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 88.75 122.94 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 61.2 p -69.49 105.42 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 52.4 m -115.47 -49.21 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.774 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.77 116.73 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.42 175.24 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 538' ' ' ASP . . . 150.56 -166.1 30.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 537' ' ' GLY . 66.5 m-20 -34.42 135.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 85.0 t -40.35 103.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.075 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -124.9 111.01 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 38.0 m 61.97 41.05 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -94.2 142.73 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.518 ' CD2' HD22 ' A' ' 589' ' ' LEU . 10.3 t-160 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 32.3 mt -86.75 158.73 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 19.7 m -146.18 156.92 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 582' ' ' GLY . 19.7 t0 -117.08 -179.79 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -43.56 -39.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -83.11 -26.94 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 107.44 -34.58 5.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -41.54 -45.43 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.82 157.72 32.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.44 0.44 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.26 57.22 2.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.434 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.518 HD22 ' CD2' ' A' ' 547' ' ' HIS . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.511 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.408 ' N ' HD21 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -65.34 -54.83 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -124.81 90.41 51.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.47 169.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.15 155.36 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -96.31 -40.8 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -113.11 -47.01 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.5 139.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -120.94 -39.0 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 m -70.86 108.92 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 76.77 165.58 22.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.567 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.09 109.9 2.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.229 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 42.8 t -105.62 -52.84 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 4.7 t -121.56 110.74 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.2 t -56.38 105.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.7 p -167.38 140.68 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -48.2 143.43 7.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 67.5 m -93.17 96.53 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.9 p -42.09 -56.8 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 58.03 -179.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 2.0 pp20? -141.48 116.0 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -112.94 -131.25 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.33 136.41 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 27.1 m -72.56 -41.24 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -49.09 -44.54 42.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 23.7 t -110.51 85.52 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -103.59 142.7 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.477 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.9 t-160 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.444 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.424 ' CD1' ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . 0.424 ' HG2' ' CD1' ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 39.3 mt -71.89 176.77 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.19 157.53 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -116.78 177.55 4.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -49.54 -44.33 46.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -89.63 23.94 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.81 48.83 4.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.66 29.43 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 64.41 158.16 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 40.7 mt -122.16 39.96 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 41.9 41.91 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.477 HD23 ' CD2' ' A' ' 547' ' ' HIS . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.429 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.429 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.424 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.507 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.424 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 624' ' ' MET . . . . . 0.44 ' SD ' ' C ' ' A' ' 624' ' ' MET . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 630' ' ' ASN . 14.9 ptmt -65.84 -46.58 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 629' ' ' LYS . 5.9 t-20 -130.84 92.73 33.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.7 153.19 33.72 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.08 -177.96 4.22 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.3 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -124.43 -52.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -95.3 42.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 41.17 57.36 3.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -169.92 122.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 8.3 t -75.28 -55.85 5.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 102.01 83.78 1.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.05 176.37 10.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.6 t -112.74 117.15 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 52.4 p -140.02 157.2 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.7 t -123.95 142.47 51.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 t -82.69 -47.51 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 128.32 112.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 69.5 m -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 146.96 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 126.11 -70.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.19 141.02 50.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -99.09 -179.8 31.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.77 136.98 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.71 39.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -38.03 157.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.4 p -39.18 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.22 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.488 ' CD2' HD21 ' A' ' 589' ' ' LEU . 11.2 t-160 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.451 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 597' ' ' ASP . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 57.6 mt -71.13 153.3 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.77 160.48 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 582' ' ' GLY . 21.2 t70 -117.85 177.06 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -44.75 -43.93 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -75.15 -23.64 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.16 -29.73 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -45.63 -47.64 14.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.42 168.18 35.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -30.68 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . 0.417 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . 114.92 50.46 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.446 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . 0.417 ' HG3' ' C ' ' A' ' 586' ' ' GLY . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.488 HD21 ' CD2' ' A' ' 547' ' ' HIS . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.421 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.421 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.454 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.416 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . 0.421 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 16.1 ptpt -55.3 -44.29 75.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 78.1 m-20 -134.76 82.3 44.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.56 148.79 2.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.76 131.46 11.27 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -47.29 -42.23 20.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -157.44 168.74 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.29 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -47.47 126.59 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 5.5 m -104.11 92.74 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -150.64 76.1 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.52 38.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 9.3 t -43.97 120.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -136.63 154.42 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 67.5 m -123.72 87.16 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 12.3 t -126.26 105.79 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.36 151.7 16.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 64.1 p -80.79 166.75 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.6 t -90.74 88.52 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -85.67 -168.47 44.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -114.91 -66.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -156.7 96.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.98 153.84 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 539' ' ' VAL . 3.8 p -104.0 -3.92 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -80.01 -39.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.4 m -125.72 84.79 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.6 143.23 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.401 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.559 ' CD2' HD21 ' A' ' 589' ' ' LEU . 12.0 t-160 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.498 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . 0.454 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.457 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 82.3 mt -68.16 171.17 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.75 160.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.1 175.12 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.55 -41.82 22.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.33 -22.26 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 78.41 32.42 42.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -99.85 -49.01 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 135.36 129.9 2.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.84 29.45 1.02 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 0.0 110.937 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.77 31.53 31.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.424 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.559 HD21 ' CD2' ' A' ' 547' ' ' HIS . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.409 ' C ' ' CD2' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . 0.454 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 624' ' ' MET . . . . . 0.416 ' HG3' ' CD2' ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -55.58 -51.4 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -126.17 84.69 61.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.704 0.764 . . . . 0.0 110.809 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.3 165.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -76.61 127.17 9.43 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -109.39 98.78 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 42.83 38.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 636' ' ' LYS . . . -111.63 -99.14 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER 33.62 52.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 94.9 p -105.34 165.52 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 103.43 145.71 15.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.35 111.28 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 62.9 p -54.27 112.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 70.7 p -125.42 43.52 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.1 t -64.41 162.86 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 110.967 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 95.7 p -125.56 116.66 22.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.78 -132.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.1 t -128.54 112.21 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 26.6 t -147.46 166.27 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 104.12 84.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -58.82 -59.12 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 110.56 90.72 2.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.74 166.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.2 -3.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -76.58 -47.99 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 22.5 t -109.1 88.71 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -82.38 146.14 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.448 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.511 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 13.1 t-160 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . 0.502 ' CG2' ' CB ' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.502 ' CB ' ' CG2' ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 28.6 mt -85.55 158.22 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.7 m -148.93 162.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.6 t70 -118.03 170.4 8.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.68 -47.12 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -70.67 -21.86 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 66.75 42.62 93.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -103.9 -14.45 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 83.54 129.58 1.6 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.91 29.83 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.81 75.69 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.489 HD21 ' CD2' ' A' ' 547' ' ' HIS . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.405 ' CD ' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.467 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.467 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -78.21 -47.09 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.24 83.01 9.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.44 169.7 21.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.6 2.2 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.98 -173.05 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . 66.05 44.75 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 73.11 47.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -116.39 -4.8 17.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.422 ' HE3' ' C ' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -120.58 31.75 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 31.3 t -58.01 -41.93 84.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 78.21 -146.55 30.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.84 132.43 10.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 30.2 t -69.96 -64.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 91.3 p -71.98 170.43 13.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 50.5 p -97.11 42.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 42.0 t -111.92 -58.45 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 126.43 -130.94 7.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.7 m -128.7 105.7 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 93.4 p -73.03 147.35 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -141.49 -98.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -98.82 141.05 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -59.3 174.29 3.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.12 135.01 42.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.14 -20.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.03 159.98 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.7 m 41.79 52.65 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.41 145.8 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.551 ' CD2' HD22 ' A' ' 589' ' ' LEU . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 33.2 mt -78.62 163.13 25.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.0 m -148.95 159.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -117.64 -177.43 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -49.57 -38.72 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.553 HD21 ' N ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER -76.17 -18.88 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.553 ' N ' HD21 ' A' ' 581' ' ' ASN . . . 87.13 -33.79 3.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . 0.462 ' CG ' ' ND2' ' A' ' 581' ' ' ASN . 6.0 pt20 -53.9 -28.46 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.07 42.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.4 mt -119.31 -30.68 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 126.98 62.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.551 HD22 ' CD2' ' A' ' 547' ' ' HIS . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.457 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.428 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.428 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.409 ' C ' ' CD1' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 20.7 pttp -64.0 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.464 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 22.5 t-20 -134.81 93.21 18.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.76 148.18 28.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.17 -176.67 3.37 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.659 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -144.98 154.06 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.25 98.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.45 -128.21 0.96 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -126.92 114.85 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 43.9 p -84.12 -58.5 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 170.95 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.3 163.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 45.0 t -113.05 91.59 3.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.6 p -142.4 173.03 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 86.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 59.3 p -76.32 -52.03 10.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.56 14.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 51.1 m -52.45 163.59 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 58.7 m -126.93 42.18 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 110.33 39.93 1.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.58 112.51 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -82.94 74.28 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.53 144.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.21 -42.78 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -79.18 -41.19 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.3 m -98.84 47.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.95 148.48 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.592 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 8.8 t-160 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.451 HG22 ' CE1' ' A' ' 592' ' ' PHE . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . 0.584 ' CG2' ' CB ' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.584 ' CB ' ' CG2' ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.408 HD12 ' CB ' ' A' ' 587' ' ' GLN . 71.8 mt -73.23 -175.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 11.4 m -147.91 153.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -115.08 -175.26 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -48.83 -42.15 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.503 HD21 ' NE2' ' A' ' 583' ' ' GLN . 13.9 t-20 -89.88 26.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 36.55 33.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . 0.503 ' NE2' HD21 ' A' ' 581' ' ' ASN . 3.6 pt20 -112.48 -3.57 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.18 150.69 25.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.416 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 587' ' ' GLN . 0.3 OUTLIER -111.28 17.47 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.54 37.96 13.2 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . 0.46 ' HB2' ' CD1' ' A' ' 585' ' ' LEU . 7.8 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.592 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.511 HG13 ' CZ ' ' A' ' 592' ' ' PHE . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.511 ' CZ ' HG13 ' A' ' 590' ' ' VAL . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.44 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.489 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.489 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.444 ' C ' ' CD2' ' A' ' 609' ' ' LEU . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 18.4 ptmt -93.37 -42.83 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 75.0 m-20 -134.55 78.61 55.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.43 149.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.604 2.203 . . . . 0.0 112.404 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 123.27 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.77 63.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -116.85 -44.26 2.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.59 14.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.0 140.44 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.1 t -106.7 140.79 39.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -135.85 68.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.02 111.42 3.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.262 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.7 p -153.9 119.8 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.0 m -84.8 84.01 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 74.4 m -105.19 86.79 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.4 t -56.56 122.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.78 162.71 5.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 32.3 t -131.33 -55.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 118.43 8.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -89.59 72.12 2.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.36 -45.21 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 137.96 116.3 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -172.34 123.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.0 t -89.88 99.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -161.24 147.65 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 16.8 m 40.01 42.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.18 139.32 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.538 ' CD2' HD23 ' A' ' 589' ' ' LEU . 15.7 t-160 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.53 HG21 ' CE1' ' A' ' 592' ' ' PHE . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 570' ' ' ASP . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . 0.467 ' N ' ' OD2' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 72.2 mt -78.03 164.23 25.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.8 m -148.86 161.06 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER -117.69 179.92 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 581' ' ' ASN . 0.8 OUTLIER -44.18 -42.93 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 580' ' ' ASN . 26.5 m-20 -76.26 -24.8 54.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.98 -24.81 29.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.99 -14.1 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.976 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 71.3 174.12 18.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.09 15.84 26.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.49 63.41 2.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.538 HD23 ' CD2' ' A' ' 547' ' ' HIS . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.53 ' CE1' HG21 ' A' ' 567' ' ' ILE . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.419 ' HD2' ' C ' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.546 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -76.68 -45.37 29.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -133.09 77.74 66.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.7 147.65 2.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -46.93 130.0 15.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.339 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -68.46 92.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.12 91.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -145.93 151.11 23.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -95.04 -45.43 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 35.0 p -54.25 134.04 44.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -171.95 95.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.31 141.83 4.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 89.0 p -89.59 119.9 30.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 2.3 t 40.01 45.58 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.4 t -87.96 -45.81 9.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.3 t -59.33 138.97 57.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 73.56 -122.71 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m 45.45 46.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 20.1 m -124.15 125.75 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.91 57.31 1.94 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.04 175.11 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 39.4 -110.96 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.15 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 6.8 p -113.77 163.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -40.13 -50.11 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.3 t -118.81 73.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -98.14 157.52 16.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . 0.412 HD13 ' CG2' ' A' ' 590' ' ' VAL . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . 0.455 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 91.8 mt -76.42 154.37 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.2 m -148.94 160.61 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.3 t0 -118.0 175.89 5.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -42.07 -45.42 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.66 -24.62 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.91 -40.72 2.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 582' ' ' GLY . 57.0 mt-30 -35.49 -50.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 102.99 175.2 26.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 12.4 mt -105.31 -7.61 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 91.74 52.22 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.481 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.414 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 609' ' ' LEU . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 624' ' ' MET . . . . . 0.41 ' SD ' ' C ' ' A' ' 624' ' ' MET . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -57.65 -49.81 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -124.18 93.04 47.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.57 148.63 33.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.37 137.78 14.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -81.93 177.59 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.89 170.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.42 142.58 4.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -52.97 116.74 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.4 ' C ' ' HD3' ' A' ' 639' ' ' PRO . 8.4 m -89.88 138.72 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -116.88 70.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . 0.4 ' HD3' ' C ' ' A' ' 637' ' ' SER . 62.4 Cg_endo -78.75 36.86 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.5 t -39.05 117.79 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 7.9 t -114.53 81.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 530' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 531' ' ' SER . 8.6 t -142.78 108.53 5.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 530' ' ' SER . 2.3 m -36.06 106.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -158.3 103.74 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 99.6 p -138.11 133.71 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 22.7 t -102.29 42.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.81 77.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.81 103.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 165.91 -100.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -53.69 172.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.09 83.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -107.1 -52.02 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 73.5 m -112.92 78.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.86 143.68 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.441 ' CD2' ' HG ' ' A' ' 589' ' ' LEU . 9.2 t-160 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 28.1 mt -74.71 138.84 43.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.99 161.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -118.0 174.99 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -45.18 -47.99 12.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -97.8 33.05 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.82 45.49 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.73 -54.33 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 98.17 68.6 0.93 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 3.4 mp -40.56 -37.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 103.76 42.34 1.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.441 ' HG ' ' CD2' ' A' ' 547' ' ' HIS . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.497 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.467 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.467 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.452 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 19.5 ptpt -69.65 -44.54 70.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 27.8 t-20 -132.52 82.3 57.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.84 147.5 3.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.606 2.204 . . . . 0.0 112.406 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -46.96 138.05 16.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.52 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -154.29 123.09 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.34 -130.28 14.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -145.56 145.35 30.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 47.1 t -54.06 -58.8 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 155.01 164.12 12.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 154.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 32.2 t -147.25 144.23 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 t -119.31 -58.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 165.18 31.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.899 0.381 . . . . 0.0 110.794 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.4 t -145.4 162.44 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -143.87 -94.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 533' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 534' ' ' SER . 44.7 p -151.52 166.09 32.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 534' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 533' ' ' SER . 11.5 p -34.68 130.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -128.32 -90.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -116.85 -60.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -58.99 -98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.49 129.97 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.4 99.96 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.73 136.08 44.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 13.9 m 48.39 50.55 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.17 122.14 33.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.405 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.486 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.3 t-160 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.466 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.495 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . 0.401 ' N ' ' C ' ' A' ' 572' ' ' ASN . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 26.0 mt -74.64 158.73 33.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.3 m -148.27 153.38 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.35 -176.58 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -46.23 -42.37 14.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -81.44 -19.94 41.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 100.72 -30.9 9.3 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -44.37 -42.44 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.6 177.99 33.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.98 24.08 12.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 63.97 51.75 50.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.486 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.495 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.468 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.423 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.405 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -57.55 -40.26 78.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.58 105.0 5.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.58 148.13 36.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -47.34 126.95 12.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.299 . . . . 0.0 112.293 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -135.28 107.41 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 46.03 45.71 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -138.11 -119.4 1.76 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -142.37 177.24 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.2 p -76.04 -54.96 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 164.7 -146.1 10.98 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 134.02 16.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 78.3 p -79.19 95.2 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 6.4 t -156.09 154.32 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -106.78 103.93 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 89.1 p -101.15 167.75 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 152.95 171.82 20.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.573 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.5 m -77.15 143.0 39.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.344 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 28.4 p -38.22 -48.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -117.53 113.82 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -53.79 -54.08 43.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -114.12 141.62 17.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -47.41 69.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 28.3 m -67.59 -48.46 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.01 -48.82 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.1 p -145.27 116.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -141.09 123.51 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 9.2 t-160 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 83.4 mt -73.51 154.02 40.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.77 156.3 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -116.35 179.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -46.84 -45.64 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.44 29.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.35 45.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -89.48 -49.77 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.04 122.67 3.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 586' ' ' GLY . 14.6 mt -81.84 42.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 37.25 55.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CG ' HG23 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 631' ' ' PRO . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -63.76 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -123.86 71.74 51.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 627' ' ' ILE . 72.7 Cg_exo -46.74 153.38 1.33 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.75 153.01 33.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -99.59 -39.2 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -169.13 106.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.13 -154.98 7.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 636' ' ' LYS . 0.1 OUTLIER 47.96 39.08 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 73.7 m -103.97 43.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 156.5 94.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.64 9.58 2.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 69.3 p -146.74 155.05 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.8 m -122.26 -55.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.567 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.3 t -99.08 103.91 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 m -62.87 -53.85 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 172.21 115.81 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 98.1 p -165.46 145.69 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.2 p -155.36 144.99 21.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 173.05 103.28 0.16 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.6 80.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -146.67 -154.02 6.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.435 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -123.83 -35.53 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 25.3 m -95.49 34.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -127.8 -41.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.3 p -99.32 43.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.49 134.83 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.52 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.9 t-160 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.52 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.3 m120 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . 0.412 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 558' ' ' MET . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.412 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . 0.408 HG23 ' N ' ' A' ' 570' ' ' ASP . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . 0.408 ' N ' HG23 ' A' ' 569' ' ' VAL . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . 0.422 ' CG2' ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 22.0 mt -85.35 167.43 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 16.4 m -148.86 158.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.22 -176.24 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -43.07 -47.59 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -76.22 -26.02 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 98.98 -31.54 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -40.26 -48.46 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 113.81 134.69 5.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.48 -19.6 52.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 110.71 60.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.512 HD22 ' CD2' ' A' ' 547' ' ' HIS . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.525 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.525 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.469 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -65.86 -51.5 58.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -123.17 93.46 48.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.92 156.08 38.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.41 168.16 23.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.84 -51.54 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.72 -44.69 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 111.91 116.27 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.22 142.98 43.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -67.23 -48.48 67.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 142.52 -162.76 27.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.13 99.68 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.0 p -39.24 140.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 25.4 p -98.06 151.08 20.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 28.9 t -110.85 157.79 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.7 t -85.65 148.51 25.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.39 50.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.531 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 57.7 m -98.24 141.34 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.5 m -110.96 -50.57 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 147.37 57.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 151.65 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 143.43 174.05 15.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -146.21 132.89 19.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 86.5 t -47.54 -46.49 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -43.85 -55.87 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.6 m -107.73 90.15 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -110.22 152.32 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.607 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.6 t-160 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.607 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 73.7 mt -80.23 166.24 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.6 158.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.96 -176.11 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -45.92 -45.05 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -74.56 -24.51 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 91.67 -26.06 13.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -48.87 -42.26 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.77 161.16 11.23 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 2.0 mp -107.5 -28.3 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . 119.95 52.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . 0.41 ' CG ' ' O ' ' A' ' 586' ' ' GLY . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.563 HD21 ' CD2' ' A' ' 547' ' ' HIS . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.542 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.415 HD22 ' C ' ' A' ' 621' ' ' LEU . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 628' ' ' GLU . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.16 -53.41 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.94 84.12 54.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.78 156.05 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -76.94 168.94 22.57 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.47 -61.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -133.34 119.31 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.15 -171.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -124.89 106.37 9.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 56.8 p -90.0 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -48.77 147.13 5.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 640' ' ' SER . 71.4 Cg_exo -45.48 119.03 2.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 639' ' ' PRO . 55.8 m 37.67 54.32 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.7 m -114.16 110.25 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 13.5 m -74.91 -67.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 24.2 p 54.54 41.32 32.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 92.55 -146.49 18.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.9 t 66.48 35.89 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.2 p -46.15 -55.03 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.02 -122.8 2.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -133.17 -41.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 129.24 -50.14 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.8 164.79 28.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 26.0 m -94.16 45.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.25 -50.21 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.5 m -103.94 78.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.3 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . 0.418 ' CG2' ' HB1' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.11 154.99 40.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.2 m -146.48 153.94 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.9 OUTLIER -115.14 -176.41 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -45.34 -45.31 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -75.98 -21.25 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 101.97 -42.86 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -40.53 -39.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.57 176.87 38.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 16.4 mt -92.67 -29.29 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 121.6 36.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.543 HG12 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.543 ' CZ ' HG12 ' A' ' 590' ' ' VAL . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 595' ' ' GLU . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.405 ' CG ' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.495 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.495 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . 0.418 ' HB1' ' CG2' ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.405 HG21 ' CG ' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -77.02 -55.54 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -127.82 93.28 40.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.5 163.26 34.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.78 159.29 34.96 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -61.15 131.46 50.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -42.98 148.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 59.72 -128.48 46.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -130.81 118.67 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -138.61 142.58 39.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.77 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.27 -146.3 17.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.428 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 119.5 2.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.2 m -108.76 133.34 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 -53.11 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 34.5 p -161.91 123.88 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.403 . . . . 0.0 110.812 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 p -62.48 161.47 11.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 533' ' ' SER . . . 129.13 -123.53 4.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 533' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 532' ' ' GLY . 37.7 m 34.57 53.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 72.5 p -145.89 146.34 31.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 136.91 54.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -105.1 153.05 22.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -143.89 99.37 0.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.84 118.13 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.1 -50.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -39.76 -51.42 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 m -120.96 101.28 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -105.07 150.21 25.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 10.1 t-80 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.406 HD11 ' CB ' ' A' ' 587' ' ' GLN . 61.6 mt -74.56 163.73 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.1 m -148.98 160.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.4 -175.96 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -50.63 -46.89 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -89.01 23.4 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.56 3.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -95.69 -49.78 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.5 121.74 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.49 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.0 mp -82.92 37.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 38.98 39.4 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . 0.406 ' CB ' HD11 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.447 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.548 HG12 ' CZ ' ' A' ' 592' ' ' PHE . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.548 ' CZ ' HG12 ' A' ' 590' ' ' VAL . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.443 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 12.4 ptpt -55.09 -39.43 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.457 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 44.2 t30 -155.11 104.95 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.21 157.21 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.13 131.2 11.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.62 112.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.85 113.4 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -169.25 -61.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.78 152.57 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.7 p -89.16 154.85 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -106.47 -96.11 2.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.96 31.08 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.1 t -92.33 -52.38 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.9 m -65.62 87.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 54.7 p -124.58 128.01 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.8 p -61.91 155.34 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 125.26 -157.49 19.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.2 t -113.63 161.32 17.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 65.6 p -49.24 140.47 9.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.42 -74.55 1.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.69 159.97 16.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 146.05 -87.75 0.16 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 9.1 p -108.19 38.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.14 -46.45 84.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.1 m -121.06 91.4 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -99.63 123.51 43.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 543' ' ' LYS . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.519 ' CD2' HD23 ' A' ' 589' ' ' LEU . 14.4 t-160 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.49 149.61 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . 0.431 ' HA ' ' CA ' ' A' ' 584' ' ' GLY . 30.4 m -142.19 152.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 582' ' ' GLY . 7.2 t70 -116.9 178.31 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -41.9 -37.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.45 -25.57 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 104.81 -25.59 25.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.26 -14.37 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . 0.431 ' CA ' ' HA ' ' A' ' 578' ' ' VAL . . . 58.21 170.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 7.5 mt -87.09 41.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 44.2 57.6 4.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.519 HD23 ' CD2' ' A' ' 547' ' ' HIS . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.543 HG13 ' CZ ' ' A' ' 592' ' ' PHE . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.543 ' CZ ' HG13 ' A' ' 590' ' ' VAL . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.41 ' O ' ' C ' ' A' ' 599' ' ' ARG . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 7.6 ptmm? -57.55 -45.9 84.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . 0.452 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 4.6 t-20 -128.07 83.18 66.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.85 148.55 28.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.91 161.4 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -88.43 -56.86 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -138.31 157.85 45.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -157.47 81.11 0.16 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -111.39 103.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.4 p -165.2 173.87 10.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -83.04 138.74 18.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.97 -24.7 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 54.3 p -90.17 156.5 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 5.1 t -109.91 -58.75 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 530' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 529' ' ' GLY . 13.8 t 36.18 42.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 18.6 m -105.47 83.32 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -119.62 -102.32 1.97 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 80.5 p -169.79 164.59 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 74.2 m -135.36 169.47 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.49 -164.8 10.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -121.78 -54.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.96 18.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.06 150.33 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 16.9 m -84.35 -7.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -89.36 -45.46 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.7 p -130.65 90.94 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.21 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.411 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.632 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 12.2 t-80 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.418 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 558' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 558' ' ' MET . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 560' ' ' VAL . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.64 154.33 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.0 m -145.37 156.7 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.21 -177.17 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -46.71 -44.29 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 582' ' ' GLY . 2.2 m120 -93.84 31.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.8 46.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -95.96 -43.1 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.69 126.46 5.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 586' ' ' GLY . 58.6 mt -84.32 46.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 38.37 58.13 1.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.446 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.48 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.48 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.401 HD22 ' CG ' ' A' ' 610' ' ' ASN . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . 0.401 ' CG ' HD22 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -71.2 -49.5 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -123.12 89.69 50.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.709 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.67 149.37 30.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.753 2.302 . . . . 0.0 112.409 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.1 176.82 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -111.97 -46.61 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -116.62 143.03 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -107.02 92.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.27 95.87 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 71.0 m -88.46 156.66 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -153.96 163.38 30.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 90.57 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.76 2.307 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 28.0 p -126.04 162.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 32.1 t -97.88 130.36 44.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 36.7 p -146.49 165.57 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.0 m -45.48 144.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -150.54 -74.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 86.6 p -153.97 142.55 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.6 m -135.53 131.71 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -153.53 -138.55 2.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -121.81 -55.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -148.82 83.02 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -159.33 129.91 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 67.4 t -94.83 103.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -111.98 -48.61 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.6 t -119.51 79.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.59 149.17 21.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.637 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.7 t-160 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 549' ' ' THR . . . . . 0.637 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 558' ' ' MET . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 558' ' ' MET . . . . . 0.449 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 575' ' ' HIS . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 572' ' ' ASN . 8.8 m170 -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 577' ' ' LEU . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . 0.405 ' N ' HG12 ' A' ' 576' ' ' VAL . 28.0 mt -76.79 141.5 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.8 m -148.52 159.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -117.01 177.27 4.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -44.88 -49.32 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 582' ' ' GLY . 5.1 t-20 -92.55 32.32 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.57 42.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.62 -45.23 65.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 88.63 114.44 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.21 25.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.328 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 50.3 44.97 44.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . 0.546 ' CG1' ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.546 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . 0.405 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . 0.412 ' CD2' ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -61.0 -46.61 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.55 104.98 2.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.76 155.83 48.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 147.4 27.61 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.82 -58.03 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 55.95 34.93 24.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -133.37 -103.86 0.85 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -78.66 -53.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.5 t -108.71 125.14 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -126.79 -169.1 12.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.99 41.11 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 640' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 641' ' ' SER . 35.6 p -173.63 171.3 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 641' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 640' ' ' SER . 4.5 t -37.25 118.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.575 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.4 m -87.08 115.65 24.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 531' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 532' ' ' GLY . 42.6 m -66.03 -46.72 76.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 532' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 531' ' ' SER . . . 37.27 38.83 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.553 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.8 t -83.09 107.53 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.6 m -133.06 109.63 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.72 -70.34 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 536' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 536' ' ' GLU . 7.0 pt-20 -117.98 111.71 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -127.3 -105.75 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.8 54.72 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 539' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 540' ' ' ASN . 16.8 t -48.27 -60.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 540' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 540' ' ' ASN . 0.6 OUTLIER -34.76 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.4 m -134.1 86.86 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -81.03 134.15 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 543' ' ' LYS . . . . . 0.407 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 547' ' ' HIS . . . . . 0.518 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.0 t-160 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 573' ' ' ALA . . . . . . . . . . . . . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 574' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 575' ' ' HIS . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 575' ' ' HIS . . . . . 0.414 ' N ' HG13 ' A' ' 574' ' ' VAL . 10.5 m-70 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 41.6 mt -75.79 138.56 41.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.58 160.07 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 579' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.9 t0 -118.14 174.36 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -43.45 -44.24 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.32 -26.96 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 582' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 69.14 43.6 70.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -98.2 -34.73 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 103.26 116.3 4.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.68 -32.36 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 113.71 35.35 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 589' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 592' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 593' ' ' LYS . . . . . 0.427 ' N ' ' HE2' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 595' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 602' ' ' GLU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 615' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 618' ' ' VAL . . . . . 0.434 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 621' ' ' LEU . . . . . 0.421 ' C ' HD12 ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 627' ' ' ILE . . . . . 0.453 ' CG2' ' HD3' ' A' ' 632' ' ' PRO . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.1 -47.15 46.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -117.57 76.82 10.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.86 152.0 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 632' ' ' PRO . . . . . 0.453 ' HD3' ' CG2' ' A' ' 627' ' ' ILE . 62.1 Cg_endo -77.85 144.29 21.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -66.15 160.42 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.69 117.65 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 86.17 77.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 636' ' ' LYS . . . . . 0.449 ' HG2' ' N ' ' A' ' 637' ' ' SER . 8.3 ttpp -100.66 147.16 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 637' ' ' SER . . . . . 0.449 ' N ' ' HG2' ' A' ' 636' ' ' LYS . 11.5 t -147.4 148.59 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.83 15.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.59 141.88 7.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 79.2 p -114.32 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 30.2 t -140.91 122.24 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 0.1 OUTLIER 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 568' ' ' PRO . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 568' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 567' ' ' ILE . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 590' ' ' VAL . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 587' ' ' GLN . 32.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 577' ' ' LEU . 73.0 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.436 HG13 HG22 ' A' ' 574' ' ' VAL . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.526 ' N ' HD23 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 546' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 616' ' ' VAL . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.456 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.486 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 39.3 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 624' ' ' MET . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.633 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.633 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.512 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.457 ' N ' HD23 ' A' ' 609' ' ' LEU . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 546' ' ' ALA . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.462 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 571' ' ' GLU . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 569' ' ' VAL . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 567' ' ' ILE . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 570' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 569' ' ' VAL . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 561' ' ' LEU . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 570' ' ' ASP . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 561' ' ' LEU . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 587' ' ' GLN . 57.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 586' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.743 ' HB2' HD12 ' A' ' 577' ' ' LEU . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 624' ' ' MET . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 589' ' ' LEU . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.444 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 625' ' ' ARG . 16.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 548' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 616' ' ' VAL . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 549' ' ' THR . . . . . 0.8 HG22 ' HG2' ' A' ' 587' ' ' GLN . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 552' ' ' PRO . . . . . 0.488 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.473 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 587' ' ' GLN . 82.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.8 ' HG2' HG22 ' A' ' 549' ' ' THR . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 624' ' ' MET . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.446 ' CD ' HG21 ' A' ' 618' ' ' VAL . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 612' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 616' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 548' ' ' ILE . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 602' ' ' GLU . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.969 ' HG3' HD22 ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 589' ' ' LEU . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 542' ' ' ALA . . . . . 0.423 ' HB1' ' OE2' ' A' ' 595' ' ' GLU . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 571' ' ' GLU . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.405 ' O ' HG12 ' A' ' 569' ' ' VAL . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.41 ' HG2' HD13 ' A' ' 561' ' ' LEU . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.582 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 587' ' ' GLN . 28.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.429 ' HB3' HD12 ' A' ' 577' ' ' LEU . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.415 HD13 ' HG2' ' A' ' 624' ' ' MET . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 609' ' ' LEU . 0.2 OUTLIER 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 620' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 542' ' ' ALA . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.415 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 544' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 544' ' ' VAL . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 0.2 OUTLIER 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.487 ' HA ' HD12 ' A' ' 561' ' ' LEU . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' ' 571' ' ' GLU . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.449 ' O ' HG12 ' A' ' 569' ' ' VAL . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 567' ' ' ILE . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.638 ' HA ' HD21 ' A' ' 561' ' ' LEU . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 572' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 571' ' ' GLU . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 624' ' ' MET . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 609' ' ' LEU . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.571 ' HG3' HD22 ' A' ' 589' ' ' LEU . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 547' ' ' HIS . . . . . 0.402 ' ND1' HD23 ' A' ' 589' ' ' LEU . 7.8 t60 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 614' ' ' ALA . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 569' ' ' VAL . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.641 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.641 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 590' ' ' VAL . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 587' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 577' ' ' LEU . 34.2 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.454 HD13 ' HG2' ' A' ' 624' ' ' MET . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 574' ' ' VAL . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.572 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.497 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.562 ' N ' HD23 ' A' ' 609' ' ' LEU . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 614' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.454 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.502 HG23 ' HD3' ' A' ' 600' ' ' LYS . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 573' ' ' ALA . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 570' ' ' ASP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 590' ' ' VAL . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 587' ' ' GLN . 72.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.476 ' CB ' HD12 ' A' ' 577' ' ' LEU . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 624' ' ' MET . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 574' ' ' VAL . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 567' ' ' ILE . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.535 ' CG ' HG21 ' A' ' 618' ' ' VAL . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.553 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 614' ' ' ALA . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.454 ' N ' HD23 ' A' ' 609' ' ' LEU . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 614' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 607' ' ' LYS . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 602' ' ' GLU . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 589' ' ' LEU . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 0.2 OUTLIER 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 586' ' ' GLY . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 574' ' ' VAL . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 604' ' ' LEU . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 566' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 561' ' ' LEU . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 587' ' ' GLN . 91.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 586' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 551' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.688 ' HB2' HD12 ' A' ' 577' ' ' LEU . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 624' ' ' MET . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.503 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 564' ' ' LEU . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.405 ' CG ' ' HG3' ' A' ' 606' ' ' ARG . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' CG ' ' A' ' 605' ' ' HIS . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 610' ' ' ASN . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 609' ' ' LEU . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.524 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.438 ' HG2' HD22 ' A' ' 589' ' ' LEU . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 590' ' ' VAL . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.677 HD12 ' OE1' ' A' ' 628' ' ' GLU . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 574' ' ' VAL . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.531 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.476 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.521 ' HG3' HD22 ' A' ' 589' ' ' LEU . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 625' ' ' ARG . . . . . 0.421 ' HD2' ' CE ' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.677 ' OE1' HD12 ' A' ' 589' ' ' LEU . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 629' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 626' ' ' GLU . 19.5 ptpt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.494 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 544' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 598' ' ' ALA . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 571' ' ' GLU . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 564' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 590' ' ' VAL . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.652 HG22 ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.511 ' HG2' HD13 ' A' ' 561' ' ' LEU . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 590' ' ' VAL . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 587' ' ' GLN . 26.0 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.627 ' HB2' HD12 ' A' ' 577' ' ' LEU . 70.5 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 574' ' ' VAL . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.544 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 594' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.652 ' OD2' HG22 ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.6 ' HB3' HG21 ' A' ' 618' ' ' VAL . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.442 HD23 ' HE2' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.442 ' HE2' HD23 ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.438 ' HB2' HD23 ' A' ' 609' ' ' LEU . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 602' ' ' GLU . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 547' ' ' HIS . . . . . 0.491 ' ND1' ' CD2' ' A' ' 589' ' ' LEU . 6.1 t60 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 561' ' ' LEU . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 571' ' ' GLU . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.442 ' HA ' HD21 ' A' ' 561' ' ' LEU . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 587' ' ' GLN . 83.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.725 ' HB2' HD12 ' A' ' 577' ' ' LEU . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.491 ' CD2' ' ND1' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.469 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.569 ' CG ' HG21 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.413 ' N ' HD23 ' A' ' 609' ' ' LEU . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' A' ' 602' ' ' GLU . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 589' ' ' LEU . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 576' ' ' VAL . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 573' ' ' ALA . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 590' ' ' VAL . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 576' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 587' ' ' GLN . 22.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.545 ' HB2' HD12 ' A' ' 577' ' ' LEU . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 574' ' ' VAL . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.485 ' N ' HD23 ' A' ' 609' ' ' LEU . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.926 0.393 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 547' ' ' HIS . . . . . 0.407 ' NE2' ' CG2' ' A' ' 549' ' ' THR . 28.0 t60 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 549' ' ' THR . . . . . 0.407 ' CG2' ' NE2' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 574' ' ' VAL . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 561' ' ' LEU . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 587' ' ' GLN . 73.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.697 ' HB2' HD12 ' A' ' 577' ' ' LEU . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.525 ' N ' HD23 ' A' ' 609' ' ' LEU . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 628' ' ' GLU . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 551' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' A' ' 587' ' ' GLN . 30.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.817 ' HB2' HD12 ' A' ' 577' ' ' LEU . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.655 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 597' ' ' ASP . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 597' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 592' ' ' PHE . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG3' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 614' ' ' ALA . . . . . 0.419 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 587' ' ' GLN . 61.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.901 HD13 ' CG ' ' A' ' 624' ' ' MET . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.519 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.901 ' CG ' HD13 ' A' ' 589' ' ' LEU . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 589' ' ' LEU . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.615 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 549' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 587' ' ' GLN . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 610' ' ' ASN . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 574' ' ' VAL . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 567' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 592' ' ' PHE . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.441 HG21 HD23 ' A' ' 561' ' ' LEU . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 549' ' ' THR . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 624' ' ' MET . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.643 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 567' ' ' ILE . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 618' ' ' VAL . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.556 ' N ' HD23 ' A' ' 609' ' ' LEU . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.615 HG12 ' HG2' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.572 ' HG3' HD22 ' A' ' 589' ' ' LEU . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 624' ' ' MET . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.901 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 547' ' ' HIS . . . . . 0.473 ' CB ' HD23 ' A' ' 589' ' ' LEU . 36.1 t60 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 555' ' ' ILE . . . . . 0.43 HD13 HD21 ' A' ' 609' ' ' LEU . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.522 ' HA ' HD12 ' A' ' 561' ' ' LEU . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 558' ' ' MET . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.448 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 587' ' ' GLN . 40.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 577' ' ' LEU . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.493 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 609' ' ' LEU . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 547' ' ' HIS . . . . . 0.438 ' NE2' ' CG2' ' A' ' 549' ' ' THR . 15.0 t60 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 549' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 587' ' ' GLN . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 557' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 561' ' ' LEU . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 558' ' ' MET . . . . . 0.457 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.469 HD11 ' HD3' ' A' ' 557' ' ' LYS . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 569' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 573' ' ' ALA . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 574' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 590' ' ' VAL . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 549' ' ' THR . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 589' ' ' LEU . . . . . 0.602 HD13 ' HG2' ' A' ' 624' ' ' MET . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 590' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.594 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 605' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 606' ' ' ARG . . . . . 0.403 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 610' ' ' ASN . . . . . 0.493 ' N ' HD23 ' A' ' 609' ' ' LEU . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 624' ' ' MET . . . . . 0.602 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 561' ' ' LEU . . . . . 0.427 HD11 ' OE1' ' A' ' 571' ' ' GLU . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 571' ' ' GLU . . . . . 0.427 ' OE1' HD11 ' A' ' 561' ' ' LEU . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 573' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 577' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 587' ' ' GLN . 41.6 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 587' ' ' GLN . . . . . 0.602 ' HB2' HD12 ' A' ' 577' ' ' LEU . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 591' ' ' GLN . . . . . 0.639 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 592' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 593' ' ' LYS . . . . . 0.441 ' HE2' ' N ' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 595' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 601' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 602' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 615' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 618' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 621' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 627' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 628' ' ' GLU . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 530' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 529' ' ' GLY . 82.6 p -37.29 -46.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 40.27 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 88.75 122.94 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 61.2 p -69.49 105.42 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 52.4 m -115.47 -49.21 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.774 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.77 116.73 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.42 175.24 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 537' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 538' ' ' ASP . . . 150.56 -166.1 30.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 538' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 537' ' ' GLY . 66.5 m-20 -34.42 135.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 542' ' ' ALA . 85.0 t -40.35 103.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.075 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -124.9 111.01 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 38.0 m 61.97 41.05 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.503 ' HB3' HG13 ' A' ' 539' ' ' VAL . . . -94.2 142.73 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.476 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 0.1 OUTLIER 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 568' ' ' PRO . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 568' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 567' ' ' ILE . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 590' ' ' VAL . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 587' ' ' GLN . 32.3 mt -86.75 158.73 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 19.7 m -146.18 156.92 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 582' ' ' GLY . 19.7 t0 -117.08 -179.79 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -43.56 -39.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -83.11 -26.94 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 107.44 -34.58 5.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 24.6 mm-40 -41.54 -45.43 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.82 157.72 32.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 585' ' ' LEU . 0.6 OUTLIER -79.44 0.44 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.26 57.22 2.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.434 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 577' ' ' LEU . 73.0 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.436 HG13 HG22 ' A' ' 574' ' ' VAL . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.526 ' N ' HD23 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.402 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.45 HG23 ' HD3' ' A' ' 632' ' ' PRO . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -65.34 -54.83 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -124.81 90.41 51.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.47 169.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.45 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.4 Cg_exo -46.15 155.36 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -96.31 -40.8 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -113.11 -47.01 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.5 139.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -120.94 -39.0 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 m -70.86 108.92 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 76.77 165.58 22.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.567 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.09 109.9 2.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.229 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 42.8 t -105.62 -52.84 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 4.7 t -121.56 110.74 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.2 t -56.38 105.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.7 p -167.38 140.68 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -48.2 143.43 7.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 67.5 m -93.17 96.53 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.9 p -42.09 -56.8 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 58.03 -179.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 2.0 pp20? -141.48 116.0 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -112.94 -131.25 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.33 136.41 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 540' ' ' ASN . 27.1 m -72.56 -41.24 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 539' ' ' VAL . 14.0 t30 -49.09 -44.54 42.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 23.7 t -110.51 85.52 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -103.59 142.7 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 546' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 616' ' ' VAL . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.456 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.486 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 39.3 mt -71.89 176.77 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.19 157.53 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.419 ' CG ' HD21 ' A' ' 585' ' ' LEU . 28.8 t0 -116.78 177.55 4.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -49.54 -44.33 46.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -89.63 23.94 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.81 48.83 4.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.66 29.43 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 64.41 158.16 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 579' ' ' ASP . 40.7 mt -122.16 39.96 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 41.9 41.91 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 624' ' ' MET . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.633 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.633 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.512 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.457 ' N ' HD23 ' A' ' 609' ' ' LEU . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 546' ' ' ALA . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 630' ' ' ASN . 14.9 ptmt -65.84 -46.58 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 629' ' ' LYS . 5.9 t-20 -130.84 92.73 33.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.7 153.19 33.72 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.08 -177.96 4.22 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.3 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -124.43 -52.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -95.3 42.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 41.17 57.36 3.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -169.92 122.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 8.3 t -75.28 -55.85 5.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 102.01 83.78 1.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.05 176.37 10.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.6 t -112.74 117.15 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 52.4 p -140.02 157.2 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.7 t -123.95 142.47 51.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 t -82.69 -47.51 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 128.32 112.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 69.5 m -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 146.96 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 126.11 -70.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.19 141.02 50.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -99.09 -179.8 31.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.77 136.98 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.71 39.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -38.03 157.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.4 p -39.18 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.22 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 12.1 t60 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.462 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 571' ' ' GLU . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 569' ' ' VAL . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 567' ' ' ILE . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 570' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 569' ' ' VAL . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 561' ' ' LEU . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 570' ' ' ASP . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 561' ' ' LEU . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 587' ' ' GLN . 57.6 mt -71.13 153.3 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.77 160.48 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 582' ' ' GLY . 21.2 t70 -117.85 177.06 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -44.75 -43.93 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -75.15 -23.64 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.16 -29.73 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -45.63 -47.64 14.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.42 168.18 35.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -30.68 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . 114.92 50.46 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.446 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.743 ' HB2' HD12 ' A' ' 577' ' ' LEU . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 624' ' ' MET . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 589' ' ' LEU . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.444 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.631 HG23 ' HD3' ' A' ' 632' ' ' PRO . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 16.1 ptpt -55.3 -44.29 75.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 78.1 m-20 -134.76 82.3 44.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.56 148.79 2.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.631 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -77.76 131.46 11.27 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -47.29 -42.23 20.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -157.44 168.74 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.29 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -47.47 126.59 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 5.5 m -104.11 92.74 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -150.64 76.1 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.52 38.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 9.3 t -43.97 120.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -136.63 154.42 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 67.5 m -123.72 87.16 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 12.3 t -126.26 105.79 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.36 151.7 16.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 64.1 p -80.79 166.75 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.6 t -90.74 88.52 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -85.67 -168.47 44.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -114.91 -66.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -156.7 96.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.98 153.84 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 539' ' ' VAL . 3.8 p -104.0 -3.92 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -80.01 -39.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.4 m -125.72 84.79 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.6 143.23 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 548' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 616' ' ' VAL . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 549' ' ' THR . . . . . 0.8 HG22 ' HG2' ' A' ' 587' ' ' GLN . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 552' ' ' PRO . . . . . 0.488 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.473 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 587' ' ' GLN . 82.3 mt -68.16 171.17 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.75 160.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.412 ' HB3' ' CD1' ' A' ' 585' ' ' LEU . 0.4 OUTLIER -117.1 175.12 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.55 -41.82 22.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.33 -22.26 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 78.41 32.42 42.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -99.85 -49.01 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 135.36 129.9 2.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 579' ' ' ASP . 6.1 mp -88.84 29.45 1.02 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.77 31.53 31.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.424 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.8 ' HG2' HG22 ' A' ' 549' ' ' THR . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 624' ' ' MET . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.446 ' CD ' HG21 ' A' ' 618' ' ' VAL . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 612' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 616' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 548' ' ' ILE . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 602' ' ' GLU . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.969 ' HG3' HD22 ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.523 HG23 ' HD3' ' A' ' 632' ' ' PRO . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 589' ' ' LEU . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -55.58 -51.4 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -126.17 84.69 61.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.704 0.764 . . . . 0.0 110.809 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.3 165.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.523 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -76.61 127.17 9.43 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -109.39 98.78 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 42.83 38.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 635' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 636' ' ' LYS . . . -111.63 -99.14 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER 33.62 52.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 94.9 p -105.34 165.52 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 103.43 145.71 15.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.35 111.28 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 62.9 p -54.27 112.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 70.7 p -125.42 43.52 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.1 t -64.41 162.86 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 110.967 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 95.7 p -125.56 116.66 22.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.78 -132.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.1 t -128.54 112.21 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 26.6 t -147.46 166.27 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 104.12 84.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -58.82 -59.12 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 110.56 90.72 2.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.74 166.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.2 -3.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -76.58 -47.99 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 541' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 620' ' ' THR . 22.5 t -109.1 88.71 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.423 ' HB1' ' OE2' ' A' ' 595' ' ' GLU . . . -82.38 146.14 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 571' ' ' GLU . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.405 ' O ' HG12 ' A' ' 569' ' ' VAL . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.41 ' HG2' HD13 ' A' ' 561' ' ' LEU . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.582 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 587' ' ' GLN . 28.6 mt -85.55 158.22 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.7 m -148.93 162.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.6 t70 -118.03 170.4 8.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.68 -47.12 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -70.67 -21.86 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 66.75 42.62 93.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -103.9 -14.45 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 83.54 129.58 1.6 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.91 29.83 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.81 75.69 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.429 ' HB3' HD12 ' A' ' 577' ' ' LEU . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.415 HD13 ' HG2' ' A' ' 624' ' ' MET . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.449 ' H ' ' CD ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 609' ' ' LEU . 0.2 OUTLIER 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 620' ' ' THR . . . . . 0.667 HG21 ' OG ' ' A' ' 541' ' ' SER . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.415 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -78.21 -47.09 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.24 83.01 9.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.44 169.7 21.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.6 2.2 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.98 -173.05 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . 66.05 44.75 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 73.11 47.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -116.39 -4.8 17.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.459 ' CE ' ' H ' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -120.58 31.75 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 31.3 t -58.01 -41.93 84.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 78.21 -146.55 30.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.84 132.43 10.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 30.2 t -69.96 -64.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 91.3 p -71.98 170.43 13.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 50.5 p -97.11 42.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 42.0 t -111.92 -58.45 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 126.43 -130.94 7.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.7 m -128.7 105.7 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 93.4 p -73.03 147.35 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -141.49 -98.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -98.82 141.05 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -59.3 174.29 3.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.12 135.01 42.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.14 -20.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.03 159.98 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.7 m 41.79 52.65 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.41 145.8 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 544' ' ' VAL . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 0.2 OUTLIER 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.487 ' HA ' HD12 ' A' ' 561' ' ' LEU . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' ' 571' ' ' GLU . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.449 ' O ' HG12 ' A' ' 569' ' ' VAL . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 567' ' ' ILE . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.638 ' HA ' HD21 ' A' ' 561' ' ' LEU . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 572' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 571' ' ' GLU . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 631' ' ' PRO . 33.2 mt -78.62 163.13 25.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.0 m -148.95 159.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -117.64 -177.43 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -49.57 -38.72 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -76.17 -18.88 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 87.13 -33.79 3.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -53.9 -28.46 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.07 42.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.4 mt -119.31 -30.68 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 126.98 62.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 624' ' ' MET . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 609' ' ' LEU . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.447 ' O ' HD13 ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.571 ' HG3' HD22 ' A' ' 589' ' ' LEU . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 20.7 pttp -64.0 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.475 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 22.5 t-20 -134.81 93.21 18.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 577' ' ' LEU . 61.4 Cg_endo -76.76 148.18 28.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.17 -176.67 3.37 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.659 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -144.98 154.06 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.25 98.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.45 -128.21 0.96 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -126.92 114.85 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 43.9 p -84.12 -58.5 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 170.95 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.3 163.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 45.0 t -113.05 91.59 3.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.6 p -142.4 173.03 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 86.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 59.3 p -76.32 -52.03 10.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.56 14.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 51.1 m -52.45 163.59 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 58.7 m -126.93 42.18 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 110.33 39.93 1.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.58 112.51 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -82.94 74.28 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.53 144.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.21 -42.78 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -79.18 -41.19 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.3 m -98.84 47.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.95 148.48 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 547' ' ' HIS . . . . . 0.402 ' ND1' HD23 ' A' ' 589' ' ' LEU . 7.8 t60 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 614' ' ' ALA . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 569' ' ' VAL . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.641 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.641 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 590' ' ' VAL . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 587' ' ' GLN . 71.8 mt -73.23 -175.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 11.4 m -147.91 153.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -115.08 -175.26 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -48.83 -42.15 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 582' ' ' GLY . 13.9 t-20 -89.88 26.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 36.55 33.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 583' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 581' ' ' ASN . 15.5 pt20 -112.48 -3.57 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.18 150.69 25.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.416 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 587' ' ' GLN . 0.3 OUTLIER -111.28 17.47 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.54 37.96 13.2 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.685 ' HG3' HD13 ' A' ' 585' ' ' LEU . 34.2 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.454 HD13 ' HG2' ' A' ' 624' ' ' MET . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 574' ' ' VAL . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.572 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.497 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.562 ' N ' HD23 ' A' ' 609' ' ' LEU . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 614' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.454 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 18.4 ptmt -93.37 -42.83 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 75.0 m-20 -134.55 78.61 55.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.43 149.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.604 2.203 . . . . 0.0 112.404 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 123.27 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.77 63.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -116.85 -44.26 2.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.59 14.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.0 140.44 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.1 t -106.7 140.79 39.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -135.85 68.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.02 111.42 3.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.262 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.7 p -153.9 119.8 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.0 m -84.8 84.01 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 74.4 m -105.19 86.79 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.4 t -56.56 122.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.78 162.71 5.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 32.3 t -131.33 -55.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 118.43 8.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -89.59 72.12 2.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.36 -45.21 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 137.96 116.3 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -172.34 123.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.0 t -89.88 99.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -161.24 147.65 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 16.8 m 40.01 42.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.18 139.32 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.502 HG23 ' HD3' ' A' ' 600' ' ' LYS . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 573' ' ' ALA . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 570' ' ' ASP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 590' ' ' VAL . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 587' ' ' GLN . 72.2 mt -78.03 164.23 25.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.8 m -148.86 161.06 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER -117.69 179.92 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 580' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 581' ' ' ASN . 0.8 OUTLIER -44.18 -42.93 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 580' ' ' ASN . 26.5 m-20 -76.26 -24.8 54.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.98 -24.81 29.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.99 -14.1 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.976 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 71.3 174.12 18.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.09 15.84 26.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.49 63.41 2.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.476 ' CB ' HD12 ' A' ' 577' ' ' LEU . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 624' ' ' MET . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 574' ' ' VAL . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 567' ' ' ILE . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.535 ' CG ' HG21 ' A' ' 618' ' ' VAL . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.553 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 614' ' ' ALA . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.454 ' N ' HD23 ' A' ' 609' ' ' LEU . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 614' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 607' ' ' LYS . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 602' ' ' GLU . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 589' ' ' LEU . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.709 HG23 ' HD3' ' A' ' 632' ' ' PRO . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -76.68 -45.37 29.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -133.09 77.74 66.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.7 147.65 2.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.709 ' HD3' HG23 ' A' ' 627' ' ' ILE . 72.4 Cg_exo -46.93 130.0 15.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -68.46 92.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.12 91.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -145.93 151.11 23.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -95.04 -45.43 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 35.0 p -54.25 134.04 44.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -171.95 95.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.31 141.83 4.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 89.0 p -89.59 119.9 30.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 2.3 t 40.01 45.58 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.4 t -87.96 -45.81 9.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.3 t -59.33 138.97 57.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 73.56 -122.71 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m 45.45 46.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 20.1 m -124.15 125.75 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.91 57.31 1.94 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.04 175.11 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 39.4 -110.96 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.15 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 542' ' ' ALA . 6.8 p -113.77 163.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.452 ' N ' HG22 ' A' ' 539' ' ' VAL . 75.5 m-20 -40.13 -50.11 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.3 t -118.81 73.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 542' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 539' ' ' VAL . . . -98.14 157.52 16.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 0.2 OUTLIER 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 586' ' ' GLY . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 574' ' ' VAL . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 604' ' ' LEU . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 566' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 561' ' ' LEU . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 587' ' ' GLN . 91.8 mt -76.42 154.37 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.2 m -148.94 160.61 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.3 t0 -118.0 175.89 5.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -42.07 -45.42 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.66 -24.62 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.91 -40.72 2.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 583' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 582' ' ' GLY . 57.0 mt-30 -35.49 -50.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 102.99 175.2 26.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 12.4 mt -105.31 -7.61 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 551' ' ' ILE . . . 91.74 52.22 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.688 ' HB2' HD12 ' A' ' 577' ' ' LEU . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 624' ' ' MET . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.503 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 564' ' ' LEU . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.405 ' CG ' ' HG3' ' A' ' 606' ' ' ARG . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' CG ' ' A' ' 605' ' ' HIS . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 610' ' ' ASN . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 609' ' ' LEU . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.524 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.438 ' HG2' HD22 ' A' ' 589' ' ' LEU . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.662 HG23 ' HD3' ' A' ' 632' ' ' PRO . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -57.65 -49.81 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -124.18 93.04 47.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.57 148.63 33.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.662 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.6 Cg_exo -46.37 137.78 14.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -81.93 177.59 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.89 170.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.42 142.58 4.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -52.97 116.74 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.427 ' C ' ' HD3' ' A' ' 639' ' ' PRO . 8.4 m -89.88 138.72 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -116.88 70.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 639' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 637' ' ' SER . 62.4 Cg_endo -78.75 36.86 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.5 t -39.05 117.79 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 7.9 t -114.53 81.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 530' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 531' ' ' SER . 8.6 t -142.78 108.53 5.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 530' ' ' SER . 2.3 m -36.06 106.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -158.3 103.74 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 99.6 p -138.11 133.71 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 22.7 t -102.29 42.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.81 77.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.81 103.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 165.91 -100.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 538' ' ' ASP . . . . . 0.541 ' OD2' ' ND2' ' A' ' 540' ' ' ASN . 17.9 t0 -53.69 172.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.09 83.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.541 ' ND2' ' OD2' ' A' ' 538' ' ' ASP . 2.6 m120 -107.1 -52.02 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 73.5 m -112.92 78.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.86 143.68 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 590' ' ' VAL . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.781 ' HB3' HD13 ' A' ' 585' ' ' LEU . 28.1 mt -74.71 138.84 43.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.99 161.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -118.0 174.99 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -45.18 -47.99 12.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -97.8 33.05 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.82 45.49 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.73 -54.33 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 98.17 68.6 0.93 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 577' ' ' LEU . 3.4 mp -40.56 -37.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 103.76 42.34 1.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.677 HD12 ' OE1' ' A' ' 628' ' ' GLU . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 574' ' ' VAL . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.531 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.476 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.521 ' HG3' HD22 ' A' ' 589' ' ' LEU . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 625' ' ' ARG . . . . . 0.421 ' HD2' ' CE ' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.453 HG23 ' HD3' ' A' ' 632' ' ' PRO . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.677 ' OE1' HD12 ' A' ' 589' ' ' LEU . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 19.5 ptpt -69.65 -44.54 70.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 27.8 t-20 -132.52 82.3 57.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.84 147.5 3.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.606 2.204 . . . . 0.0 112.406 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 627' ' ' ILE . 72.8 Cg_exo -46.96 138.05 16.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.52 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -154.29 123.09 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.34 -130.28 14.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -145.56 145.35 30.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 47.1 t -54.06 -58.8 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 155.01 164.12 12.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 154.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 32.2 t -147.25 144.23 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 t -119.31 -58.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 165.18 31.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.899 0.381 . . . . 0.0 110.794 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.4 t -145.4 162.44 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -143.87 -94.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 533' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 534' ' ' SER . 44.7 p -151.52 166.09 32.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 534' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 533' ' ' SER . 11.5 p -34.68 130.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -128.32 -90.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -116.85 -60.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -58.99 -98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.49 129.97 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.4 99.96 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -133.73 136.08 44.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 13.9 m 48.39 50.55 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.17 122.14 33.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.494 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 544' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 598' ' ' ALA . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 571' ' ' GLU . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 564' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 590' ' ' VAL . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.652 HG22 ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.511 ' HG2' HD13 ' A' ' 561' ' ' LEU . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 590' ' ' VAL . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 587' ' ' GLN . 26.0 mt -74.64 158.73 33.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.3 m -148.27 153.38 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.35 -176.58 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -46.23 -42.37 14.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -81.44 -19.94 41.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 100.72 -30.9 9.3 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -44.37 -42.44 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.6 177.99 33.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.98 24.08 12.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 63.97 51.75 50.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.627 ' HB2' HD12 ' A' ' 577' ' ' LEU . 70.5 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 574' ' ' VAL . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.544 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 594' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.652 ' OD2' HG22 ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.6 ' HB3' HG21 ' A' ' 618' ' ' VAL . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.442 HD23 ' HE2' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.442 ' HE2' HD23 ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.438 ' HB2' HD23 ' A' ' 609' ' ' LEU . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 602' ' ' GLU . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.465 HG23 ' HD3' ' A' ' 632' ' ' PRO . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -57.55 -40.26 78.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.58 105.0 5.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.58 148.13 36.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.465 ' HD3' HG23 ' A' ' 627' ' ' ILE . 73.0 Cg_exo -47.34 126.95 12.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.299 . . . . 0.0 112.293 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -135.28 107.41 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 46.03 45.71 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -138.11 -119.4 1.76 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -142.37 177.24 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.2 p -76.04 -54.96 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 164.7 -146.1 10.98 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 134.02 16.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 78.3 p -79.19 95.2 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 6.4 t -156.09 154.32 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -106.78 103.93 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 89.1 p -101.15 167.75 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 152.95 171.82 20.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.573 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.5 m -77.15 143.0 39.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.344 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 28.4 p -38.22 -48.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -117.53 113.82 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -53.79 -54.08 43.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -114.12 141.62 17.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -47.41 69.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 540' ' ' ASN . 28.3 m -67.59 -48.46 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.534 ' N ' HG23 ' A' ' 539' ' ' VAL . 2.1 t-20 -40.01 -48.82 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.1 p -145.27 116.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -141.09 123.51 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 547' ' ' HIS . . . . . 0.491 ' ND1' ' CD2' ' A' ' 589' ' ' LEU . 6.1 t60 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 561' ' ' LEU . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 571' ' ' GLU . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.442 ' HA ' HD21 ' A' ' 561' ' ' LEU . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 587' ' ' GLN . 83.4 mt -73.51 154.02 40.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.77 156.3 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -116.35 179.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -46.84 -45.64 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.44 29.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.35 45.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -89.48 -49.77 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.04 122.67 3.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 586' ' ' GLY . 14.6 mt -81.84 42.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 37.25 55.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.725 ' HB2' HD12 ' A' ' 577' ' ' LEU . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.491 ' CD2' ' ND1' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.469 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.569 ' CG ' HG21 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.413 ' N ' HD23 ' A' ' 609' ' ' LEU . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' A' ' 602' ' ' GLU . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 589' ' ' LEU . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.754 HG23 ' HD3' ' A' ' 632' ' ' PRO . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -63.76 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -123.86 71.74 51.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 631' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 627' ' ' ILE . 72.7 Cg_exo -46.74 153.38 1.33 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.754 ' HD3' HG23 ' A' ' 627' ' ' ILE . 61.4 Cg_endo -76.75 153.01 33.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -99.59 -39.2 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -169.13 106.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.13 -154.98 7.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 636' ' ' LYS . 0.1 OUTLIER 47.96 39.08 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 73.7 m -103.97 43.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 156.5 94.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.64 9.58 2.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 69.3 p -146.74 155.05 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.8 m -122.26 -55.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.567 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.3 t -99.08 103.91 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 m -62.87 -53.85 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 172.21 115.81 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 98.1 p -165.46 145.69 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.2 p -155.36 144.99 21.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 173.05 103.28 0.16 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.6 80.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -146.67 -154.02 6.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.435 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -123.83 -35.53 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 25.3 m -95.49 34.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -127.8 -41.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.3 p -99.32 43.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.49 134.83 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 576' ' ' VAL . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 573' ' ' ALA . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 590' ' ' VAL . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 576' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 587' ' ' GLN . 22.0 mt -85.35 167.43 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 16.4 m -148.86 158.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.22 -176.24 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -43.07 -47.59 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -76.22 -26.02 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 98.98 -31.54 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -40.26 -48.46 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 113.81 134.69 5.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.48 -19.6 52.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 110.71 60.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.545 ' HB2' HD12 ' A' ' 577' ' ' LEU . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 574' ' ' VAL . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.485 ' N ' HD23 ' A' ' 609' ' ' LEU . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 632' ' ' PRO . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -65.86 -51.5 58.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -123.17 93.46 48.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.92 156.08 38.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.464 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -77.41 168.16 23.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.84 -51.54 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.72 -44.69 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 111.91 116.27 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.22 142.98 43.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -67.23 -48.48 67.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 142.52 -162.76 27.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.13 99.68 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.0 p -39.24 140.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 25.4 p -98.06 151.08 20.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 28.9 t -110.85 157.79 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.7 t -85.65 148.51 25.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.39 50.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.531 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 57.7 m -98.24 141.34 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.5 m -110.96 -50.57 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 147.37 57.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 151.65 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 143.43 174.05 15.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -146.21 132.89 19.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 86.5 t -47.54 -46.49 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -43.85 -55.87 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.6 m -107.73 90.15 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -110.22 152.32 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 547' ' ' HIS . . . . . 0.407 ' NE2' ' CG2' ' A' ' 549' ' ' THR . 28.0 t60 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 549' ' ' THR . . . . . 0.407 ' CG2' ' NE2' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 574' ' ' VAL . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 561' ' ' LEU . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 587' ' ' GLN . 73.7 mt -80.23 166.24 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.6 158.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.96 -176.11 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -45.92 -45.05 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -74.56 -24.51 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 91.67 -26.06 13.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -48.87 -42.26 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.77 161.16 11.23 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 585' ' ' LEU . 2.0 mp -107.5 -28.3 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . 119.95 52.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.697 ' HB2' HD12 ' A' ' 577' ' ' LEU . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.525 ' N ' HD23 ' A' ' 609' ' ' LEU . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.596 HG23 ' HD3' ' A' ' 632' ' ' PRO . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.16 -53.41 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.94 84.12 54.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.78 156.05 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.596 ' HD3' HG23 ' A' ' 627' ' ' ILE . 61.7 Cg_endo -76.94 168.94 22.57 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.47 -61.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -133.34 119.31 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.15 -171.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -124.89 106.37 9.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 56.8 p -90.0 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -48.77 147.13 5.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 639' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 640' ' ' SER . 71.4 Cg_exo -45.48 119.03 2.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 640' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 639' ' ' PRO . 55.8 m 37.67 54.32 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.7 m -114.16 110.25 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 13.5 m -74.91 -67.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 24.2 p 54.54 41.32 32.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 92.55 -146.49 18.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.9 t 66.48 35.89 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.2 p -46.15 -55.03 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.02 -122.8 2.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -133.17 -41.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 129.24 -50.14 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.8 164.79 28.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 26.0 m -94.16 45.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.25 -50.21 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.5 m -103.94 78.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.3 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 551' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' A' ' 587' ' ' GLN . 30.0 mt -73.11 154.99 40.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.2 m -146.48 153.94 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.9 OUTLIER -115.14 -176.41 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -45.34 -45.31 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -75.98 -21.25 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 101.97 -42.86 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -40.53 -39.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.57 176.87 38.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.657 HD13 ' OE1' ' A' ' 634' ' ' GLN . 16.4 mt -92.67 -29.29 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 121.6 36.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.817 ' HB2' HD12 ' A' ' 577' ' ' LEU . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.655 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 597' ' ' ASP . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 597' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 592' ' ' PHE . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG3' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 614' ' ' ALA . . . . . 0.419 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -77.02 -55.54 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -127.82 93.28 40.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.5 163.26 34.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.78 159.29 34.96 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -61.15 131.46 50.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 634' ' ' GLN . . . . . 0.657 ' OE1' HD13 ' A' ' 585' ' ' LEU . 2.8 mp0 -42.98 148.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 59.72 -128.48 46.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -130.81 118.67 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -138.61 142.58 39.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.77 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.27 -146.3 17.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.428 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 119.5 2.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.2 m -108.76 133.34 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 -53.11 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 34.5 p -161.91 123.88 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.403 . . . . 0.0 110.812 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 p -62.48 161.47 11.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 533' ' ' SER . . . 129.13 -123.53 4.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 533' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 532' ' ' GLY . 37.7 m 34.57 53.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 72.5 p -145.89 146.34 31.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 136.91 54.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -105.1 153.05 22.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -143.89 99.37 0.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.84 118.13 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.1 -50.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -39.76 -51.42 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 m -120.96 101.28 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -105.07 150.21 25.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 587' ' ' GLN . 61.6 mt -74.56 163.73 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.1 m -148.98 160.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.432 ' C ' ' OD1' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.4 -175.96 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -50.63 -46.89 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -89.01 23.4 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.56 3.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -95.69 -49.78 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.5 121.74 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.49 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 585' ' ' LEU . 5.0 mp -82.92 37.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 38.98 39.4 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.901 HD13 ' CG ' ' A' ' 624' ' ' MET . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.519 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.901 ' CG ' HD13 ' A' ' 589' ' ' LEU . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.632 HG23 ' HD3' ' A' ' 632' ' ' PRO . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 12.4 ptpt -55.09 -39.43 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 44.2 t30 -155.11 104.95 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.21 157.21 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.632 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.3 Cg_exo -45.13 131.2 11.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.62 112.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.85 113.4 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -169.25 -61.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.78 152.57 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.7 p -89.16 154.85 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -106.47 -96.11 2.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.96 31.08 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.1 t -92.33 -52.38 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.9 m -65.62 87.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 54.7 p -124.58 128.01 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.8 p -61.91 155.34 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 125.26 -157.49 19.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.2 t -113.63 161.32 17.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 65.6 p -49.24 140.47 9.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.42 -74.55 1.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.69 159.97 16.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 146.05 -87.75 0.16 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 539' ' ' VAL . 9.1 p -108.19 38.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.14 -46.45 84.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.1 m -121.06 91.4 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -99.63 123.51 43.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.615 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 549' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 587' ' ' GLN . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 610' ' ' ASN . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 574' ' ' VAL . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 567' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 592' ' ' PHE . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.441 HG21 HD23 ' A' ' 561' ' ' LEU . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.49 149.61 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 578' ' ' VAL . . . . . 0.445 ' HA ' ' CA ' ' A' ' 584' ' ' GLY . 30.4 m -142.19 152.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 582' ' ' GLY . 7.2 t70 -116.9 178.31 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -41.9 -37.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.45 -25.57 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 104.81 -25.59 25.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.26 -14.37 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 584' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 578' ' ' VAL . . . 58.21 170.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 632' ' ' PRO . 7.5 mt -87.09 41.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 44.2 57.6 4.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 549' ' ' THR . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 624' ' ' MET . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.643 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 567' ' ' ILE . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 618' ' ' VAL . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.556 ' N ' HD23 ' A' ' 609' ' ' LEU . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.615 HG12 ' HG2' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.572 ' HG3' HD22 ' A' ' 589' ' ' LEU . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 624' ' ' MET . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 7.6 ptmm? -57.55 -45.9 84.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 630' ' ' ASN . . . . . 0.467 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 4.6 t-20 -128.07 83.18 66.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.85 148.55 28.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.768 ' O ' HD13 ' A' ' 585' ' ' LEU . 62.4 Cg_endo -76.91 161.4 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -88.43 -56.86 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -138.31 157.85 45.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -157.47 81.11 0.16 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -111.39 103.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.4 p -165.2 173.87 10.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -83.04 138.74 18.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.97 -24.7 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 54.3 p -90.17 156.5 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 5.1 t -109.91 -58.75 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 529' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 530' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 529' ' ' GLY . 13.8 t 36.18 42.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 18.6 m -105.47 83.32 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -119.62 -102.32 1.97 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 80.5 p -169.79 164.59 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 74.2 m -135.36 169.47 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.49 -164.8 10.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -121.78 -54.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.96 18.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.06 150.33 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 16.9 m -84.35 -7.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -89.36 -45.46 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.7 p -130.65 90.94 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.21 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 547' ' ' HIS . . . . . 0.473 ' CB ' HD23 ' A' ' 589' ' ' LEU . 36.1 t60 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 555' ' ' ILE . . . . . 0.43 HD13 HD21 ' A' ' 609' ' ' LEU . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.522 ' HA ' HD12 ' A' ' 561' ' ' LEU . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 558' ' ' MET . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.448 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 587' ' ' GLN . 40.2 mt -67.64 154.33 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.0 m -145.37 156.7 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.21 -177.17 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -46.71 -44.29 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 582' ' ' GLY . 2.2 m120 -93.84 31.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.8 46.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -95.96 -43.1 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.69 126.46 5.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 585' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 586' ' ' GLY . 58.6 mt -84.32 46.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 586' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 38.37 58.13 1.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 577' ' ' LEU . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.473 HD23 ' CB ' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.493 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 609' ' ' LEU . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -71.2 -49.5 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -123.12 89.69 50.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.709 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.67 149.37 30.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.753 2.302 . . . . 0.0 112.409 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.1 176.82 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -111.97 -46.61 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -116.62 143.03 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -107.02 92.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.27 95.87 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 71.0 m -88.46 156.66 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -153.96 163.38 30.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 90.57 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.76 2.307 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 28.0 p -126.04 162.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 32.1 t -97.88 130.36 44.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 36.7 p -146.49 165.57 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.0 m -45.48 144.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -150.54 -74.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 86.6 p -153.97 142.55 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.6 m -135.53 131.71 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -153.53 -138.55 2.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -121.81 -55.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -148.82 83.02 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -159.33 129.91 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 67.4 t -94.83 103.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -111.98 -48.61 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.6 t -119.51 79.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.59 149.17 21.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 547' ' ' HIS . . . . . 0.438 ' NE2' ' CG2' ' A' ' 549' ' ' THR . 15.0 t60 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 549' ' ' THR . . . . . 0.453 HG22 ' HG2' ' A' ' 587' ' ' GLN . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 557' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 561' ' ' LEU . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 558' ' ' MET . . . . . 0.457 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.469 HD11 ' HD3' ' A' ' 557' ' ' LYS . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 569' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 573' ' ' ALA . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 574' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 590' ' ' VAL . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.0 mt -76.79 141.5 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.8 m -148.52 159.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -117.01 177.27 4.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -44.88 -49.32 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 581' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 582' ' ' GLY . 5.1 t-20 -92.55 32.32 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.57 42.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.62 -45.23 65.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 88.63 114.44 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.21 25.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.328 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 50.3 44.97 44.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 549' ' ' THR . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 589' ' ' LEU . . . . . 0.602 HD13 ' HG2' ' A' ' 624' ' ' MET . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 590' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.594 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 605' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 606' ' ' ARG . . . . . 0.403 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 610' ' ' ASN . . . . . 0.493 ' N ' HD23 ' A' ' 609' ' ' LEU . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 624' ' ' MET . . . . . 0.602 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -61.0 -46.61 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.55 104.98 2.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.76 155.83 48.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 147.4 27.61 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.82 -58.03 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 55.95 34.93 24.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -133.37 -103.86 0.85 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -78.66 -53.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.5 t -108.71 125.14 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -126.79 -169.1 12.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.99 41.11 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 640' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 641' ' ' SER . 35.6 p -173.63 171.3 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 641' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 640' ' ' SER . 4.5 t -37.25 118.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.575 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.4 m -87.08 115.65 24.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 531' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 532' ' ' GLY . 42.6 m -66.03 -46.72 76.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 532' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 531' ' ' SER . . . 37.27 38.83 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.553 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.8 t -83.09 107.53 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.6 m -133.06 109.63 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.72 -70.34 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 536' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 536' ' ' GLU . 7.0 pt-20 -117.98 111.71 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -127.3 -105.75 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.8 54.72 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 539' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 540' ' ' ASN . 16.8 t -48.27 -60.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 540' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 540' ' ' ASN . 0.6 OUTLIER -34.76 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.4 m -134.1 86.86 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -81.03 134.15 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 561' ' ' LEU . . . . . 0.427 HD11 ' OE1' ' A' ' 571' ' ' GLU . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 571' ' ' GLU . . . . . 0.427 ' OE1' HD11 ' A' ' 561' ' ' LEU . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 573' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 3.8 m80 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 577' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 587' ' ' GLN . 41.6 mt -75.79 138.56 41.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.58 160.07 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 579' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.9 t0 -118.14 174.36 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -43.45 -44.24 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.32 -26.96 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 582' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 69.14 43.6 70.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 583' ' ' GLN . . . . . 0.444 HE21 ' HB3' ' A' ' 583' ' ' GLN . 7.0 mt-30 -98.2 -34.73 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 103.26 116.3 4.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.68 -32.36 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 113.71 35.35 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 587' ' ' GLN . . . . . 0.602 ' HB2' HD12 ' A' ' 577' ' ' LEU . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 591' ' ' GLN . . . . . 0.639 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 592' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 593' ' ' LYS . . . . . 0.441 ' HE2' ' N ' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 595' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 601' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 602' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 615' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 618' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 621' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 627' ' ' ILE . . . . . 0.461 ' CG2' ' HD3' ' A' ' 632' ' ' PRO . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.1 -47.15 46.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -117.57 76.82 10.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.86 152.0 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 632' ' ' PRO . . . . . 0.461 ' HD3' ' CG2' ' A' ' 627' ' ' ILE . 62.1 Cg_endo -77.85 144.29 21.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -66.15 160.42 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.69 117.65 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 86.17 77.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 636' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 637' ' ' SER . 8.3 ttpp -100.66 147.16 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 637' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 636' ' ' LYS . 11.5 t -147.4 148.59 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.83 15.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.59 141.88 7.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 79.2 p -114.32 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 30.2 t -140.91 122.24 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.442 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 10.3 t-160 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 568' ' ' PRO . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 567' ' ' ILE . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 590' ' ' VAL . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 587' ' ' GLN . 32.3 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.434 -0.266 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 577' ' ' LEU . 24.9 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.436 HG13 HG22 ' A' ' 574' ' ' VAL . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.526 ' N ' HD23 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.848 0.356 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 616' ' ' VAL . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.456 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.486 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 39.3 mt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 624' ' ' MET . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.633 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.633 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.512 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.457 ' N ' HD23 ' A' ' 609' ' ' LEU . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 546' ' ' ALA . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.479 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.2 t-160 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.462 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 571' ' ' GLU . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 569' ' ' VAL . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 567' ' ' ILE . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 569' ' ' VAL . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 561' ' ' LEU . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 570' ' ' ASP . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 561' ' ' LEU . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 587' ' ' GLN . 57.6 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.743 ' HB2' HD12 ' A' ' 577' ' ' LEU . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 624' ' ' MET . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 589' ' ' LEU . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.444 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.444 ' HE3' ' CD ' ' A' ' 625' ' ' ARG . 16.1 ptpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 12.0 t-160 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 616' ' ' VAL . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.8 HG22 ' HG2' ' A' ' 587' ' ' GLN . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . 0.488 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.473 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 587' ' ' GLN . 82.3 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.424 -0.27 . . . . 0.0 112.424 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.8 ' HG2' HG22 ' A' ' 549' ' ' THR . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 624' ' ' MET . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.446 ' CD ' HG21 ' A' ' 618' ' ' VAL . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 548' ' ' ILE . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 602' ' ' GLU . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.969 ' HG3' HD22 ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 589' ' ' LEU . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . 0.423 ' HB1' ' OE2' ' A' ' 595' ' ' GLU . . . . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.928 0.394 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 589' ' ' LEU . 13.1 t-160 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 571' ' ' GLU . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.405 ' O ' HG12 ' A' ' 569' ' ' VAL . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.41 ' HG2' HD13 ' A' ' 561' ' ' LEU . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.582 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 587' ' ' GLN . 28.6 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.429 ' HB3' HD12 ' A' ' 577' ' ' LEU . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 547' ' ' HIS . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 609' ' ' LEU . 23.0 t-20 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 542' ' ' ALA . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.415 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.825 0.345 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 544' ' ' VAL . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.487 ' HA ' HD12 ' A' ' 561' ' ' LEU . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' ' 571' ' ' GLU . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.449 ' O ' HG12 ' A' ' 569' ' ' VAL . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 567' ' ' ILE . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.638 ' HA ' HD21 ' A' ' 561' ' ' LEU . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 571' ' ' GLU . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 33.2 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 624' ' ' MET . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 609' ' ' LEU . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.571 ' HG3' HD22 ' A' ' 589' ' ' LEU . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 20.7 pttp . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.869 0.366 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 589' ' ' LEU . 8.8 t-160 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 614' ' ' ALA . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 569' ' ' VAL . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.641 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.641 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 590' ' ' VAL . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 587' ' ' GLN . 71.8 mt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.458 ' HB2' HD12 ' A' ' 577' ' ' LEU . 7.8 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.602 HD23 ' CD2' ' A' ' 547' ' ' HIS . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 574' ' ' VAL . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.572 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.497 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.562 ' N ' HD23 ' A' ' 609' ' ' LEU . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.454 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.889 0.376 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.401 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 15.7 t-160 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.502 HG23 ' HD3' ' A' ' 600' ' ' LYS . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 573' ' ' ALA . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 590' ' ' VAL . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 587' ' ' GLN . 72.2 mt . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.416 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.476 ' CB ' HD12 ' A' ' 577' ' ' LEU . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 624' ' ' MET . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 574' ' ' VAL . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 567' ' ' ILE . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.535 ' CG ' HG21 ' A' ' 618' ' ' VAL . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.553 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 614' ' ' ALA . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.454 ' N ' HD23 ' A' ' 609' ' ' LEU . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 607' ' ' LYS . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 602' ' ' GLU . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 589' ' ' LEU . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.875 0.369 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 586' ' ' GLY . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 574' ' ' VAL . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 604' ' ' LEU . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 561' ' ' LEU . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 587' ' ' GLN . 91.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 551' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.688 ' HB2' HD12 ' A' ' 577' ' ' LEU . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 624' ' ' MET . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.503 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 564' ' ' LEU . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.405 ' CG ' ' HG3' ' A' ' 606' ' ' ARG . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' CG ' ' A' ' 605' ' ' HIS . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 610' ' ' ASN . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 609' ' ' LEU . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.438 ' HG2' HD22 ' A' ' 589' ' ' LEU . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.443 ' CD2' ' HG ' ' A' ' 589' ' ' LEU . 9.2 t-160 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 590' ' ' VAL . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.1 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.677 HD12 ' OE1' ' A' ' 628' ' ' GLU . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 574' ' ' VAL . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.531 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.476 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.521 ' HG3' HD22 ' A' ' 589' ' ' LEU . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . 0.421 ' HD2' ' CE ' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.677 ' OE1' HD12 ' A' ' 589' ' ' LEU . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 626' ' ' GLU . 19.5 ptpt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.818 0.342 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.494 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 598' ' ' ALA . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.523 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.3 t-160 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.466 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 571' ' ' GLU . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 590' ' ' VAL . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.652 HG22 ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.511 ' HG2' HD13 ' A' ' 561' ' ' LEU . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 590' ' ' VAL . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 587' ' ' GLN . 26.0 mt . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.627 ' HB2' HD12 ' A' ' 577' ' ' LEU . 28.9 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 547' ' ' HIS . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 574' ' ' VAL . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.544 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.652 ' OD2' HG22 ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.6 ' HB3' HG21 ' A' ' 618' ' ' VAL . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.442 HD23 ' HE2' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.442 ' HE2' HD23 ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.438 ' HB2' HD23 ' A' ' 609' ' ' LEU . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 602' ' ' GLU . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 120.814 0.34 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 9.2 t-160 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 561' ' ' LEU . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 571' ' ' GLU . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.442 ' HA ' HD21 ' A' ' 561' ' ' LEU . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 587' ' ' GLN . 83.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.725 ' HB2' HD12 ' A' ' 577' ' ' LEU . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.469 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.569 ' CG ' HG21 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.413 ' N ' HD23 ' A' ' 609' ' ' LEU . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' A' ' 602' ' ' GLU . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 589' ' ' LEU . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.921 0.391 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.52 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.9 t-160 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.52 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.3 m120 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 576' ' ' VAL . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 573' ' ' ALA . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 590' ' ' VAL . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 587' ' ' GLN . 22.0 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.545 ' HB2' HD12 ' A' ' 577' ' ' LEU . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 574' ' ' VAL . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.485 ' N ' HD23 ' A' ' 609' ' ' LEU . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.926 0.393 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.607 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.6 t-160 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.607 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 574' ' ' VAL . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 561' ' ' LEU . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 587' ' ' GLN . 73.7 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.697 ' HB2' HD12 ' A' ' 577' ' ' LEU . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.492 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.525 ' N ' HD23 ' A' ' 609' ' ' LEU . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.431 ' O ' ' C ' ' A' ' 628' ' ' GLU . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.864 0.364 . . . . 0.0 111.05 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' A' ' 587' ' ' GLN . 30.0 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.817 ' HB2' HD12 ' A' ' 577' ' ' LEU . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.655 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 597' ' ' ASP . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 592' ' ' PHE . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG3' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . 0.419 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.772 0.32 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 10.1 t-80 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 587' ' ' GLN . 61.6 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.901 HD13 ' CG ' ' A' ' 624' ' ' MET . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.519 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.901 ' CG ' HD13 ' A' ' 589' ' ' LEU . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.463 ' HB ' HD11 ' A' ' 589' ' ' LEU . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.864 0.364 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.615 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.401 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 14.4 t-160 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 587' ' ' GLN . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 610' ' ' ASN . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 574' ' ' VAL . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 592' ' ' PHE . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.441 HG21 HD23 ' A' ' 561' ' ' LEU . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.427 -0.269 . . . . 0.0 112.427 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 549' ' ' THR . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 624' ' ' MET . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.643 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 567' ' ' ILE . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 618' ' ' VAL . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.556 ' N ' HD23 ' A' ' 609' ' ' LEU . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.615 HG12 ' HG2' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.572 ' HG3' HD22 ' A' ' 589' ' ' LEU . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 624' ' ' MET . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.901 0.381 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.632 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 12.2 t-80 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.418 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . 0.43 HD13 HD21 ' A' ' 609' ' ' LEU . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.522 ' HA ' HD12 ' A' ' 561' ' ' LEU . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 558' ' ' MET . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.448 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 587' ' ' GLN . 40.2 mt . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 577' ' ' LEU . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.493 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 609' ' ' LEU . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.637 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.7 t-160 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . 0.637 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 561' ' ' LEU . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . 0.457 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.469 HD11 ' HD3' ' A' ' 557' ' ' LYS . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 573' ' ' ALA . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 575' ' ' HIS . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 590' ' ' VAL . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 572' ' ' ASN . 8.8 m170 -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.0 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.42 -0.272 . . . . 0.0 112.42 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 549' ' ' THR . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.602 HD13 ' HG2' ' A' ' 624' ' ' MET . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.594 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . 0.403 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . 0.493 ' N ' HD23 ' A' ' 609' ' ' LEU . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . 0.602 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 547' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.0 t-160 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 561' ' ' LEU . . . . . 0.427 HD11 ' OE1' ' A' ' 571' ' ' GLU . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 571' ' ' GLU . . . . . 0.427 ' OE1' HD11 ' A' ' 561' ' ' LEU . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 573' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 577' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 587' ' ' GLN . 41.6 mt . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 587' ' ' GLN . . . . . 0.602 ' HB2' HD12 ' A' ' 577' ' ' LEU . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 589' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 547' ' ' HIS . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 591' ' ' GLN . . . . . 0.639 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 592' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 593' ' ' LYS . . . . . 0.441 ' N ' ' HE2' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 595' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 601' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 602' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 615' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 618' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 621' ' ' LEU . . . . . 0.441 ' C ' HD13 ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 627' ' ' ILE . . . . . 0.433 ' O ' ' C ' ' A' ' 628' ' ' GLU . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 529' ' ' GLY . 82.6 p -37.29 -46.22 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 49.4 m 64.2 40.27 6.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 88.75 122.94 2.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 61.2 p -69.49 105.42 2.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.855 0.36 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 52.4 m -115.47 -49.21 2.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.774 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.77 116.73 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.429 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -68.42 175.24 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.838 0.352 . . . . 0.0 110.928 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 538' ' ' ASP . . . 150.56 -166.1 30.15 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.49 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 537' ' ' GLY . 66.5 m-20 -34.42 135.97 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.503 HG13 ' HB3' ' A' ' 542' ' ' ALA . 85.0 t -40.35 103.91 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.075 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -124.9 111.01 14.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 38.0 m 61.97 41.05 11.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.503 ' HB3' HG13 ' A' ' 539' ' ' VAL . . . -94.2 142.73 27.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.059 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -78.9 95.39 5.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -128.56 35.64 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 42.0 m -151.49 150.56 30.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -139.79 121.72 15.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.442 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 10.3 t-160 -93.34 124.82 37.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 33.2 mt -103.21 118.5 50.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.442 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 81.6 p -125.68 177.17 6.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 63.67 41.3 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.5 pt -122.36 154.44 62.4 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.605 0.717 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.31 126.15 9.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.575 2.183 . . . . 0.0 112.378 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -67.28 -4.98 12.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.807 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 14.5 p -65.3 -31.97 73.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.69 165.89 2.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 557' ' ' LYS . 61.6 p -128.5 170.29 13.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 556' ' ' THR . 35.7 ttpt -37.51 -48.91 1.02 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.8 mmt -46.78 -57.94 4.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -55.65 -50.5 70.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.8 t -49.11 -42.83 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.05 -27.62 61.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -75.31 -37.38 60.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.849 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -62.52 -31.61 72.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 35.7 mt -92.93 26.14 2.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -57.62 123.32 15.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.14 -35.03 3.49 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.456 HG23 ' HD2' ' A' ' 568' ' ' PRO . 56.1 mt -89.59 135.31 30.97 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . 0.456 ' HD2' HG23 ' A' ' 567' ' ' ILE . 62.7 Cg_endo -79.27 87.2 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.413 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.47 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.3 p -133.1 151.68 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.176 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -87.92 162.58 16.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -42.25 90.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -63.26 -20.39 65.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.47 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -65.15 -28.12 69.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.043 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.436 HG22 HG13 ' A' ' 590' ' ' VAL . 58.4 t -101.97 118.11 48.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.107 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -105.75 102.84 12.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.1 t -79.42 139.67 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.466 HD12 ' HB2' ' A' ' 587' ' ' GLN . 32.3 mt -86.75 158.73 19.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 19.7 m -146.18 156.92 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 582' ' ' GLY . 19.7 t0 -117.08 -179.79 3.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -43.56 -39.22 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -83.11 -26.94 30.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 107.44 -34.58 5.58 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.46 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -41.54 -45.43 3.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.908 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.82 157.72 32.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.752 ' H ' HD12 ' A' ' 585' ' ' LEU . 0.6 OUTLIER -79.44 0.44 29.4 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.828 0.347 . . . . 0.0 110.944 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.26 57.22 2.68 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.434 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.466 ' HB2' HD12 ' A' ' 577' ' ' LEU . 24.9 mt-30 -152.76 154.86 36.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 110.901 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -154.8 148.25 25.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.148 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.433 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 57.5 mt -116.36 121.63 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.436 HG13 HG22 ' A' ' 574' ' ' VAL . 13.1 t -101.01 135.01 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -117.6 115.18 24.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.22 168.2 9.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 8.8 mtmp? -76.18 -56.54 4.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -132.72 169.54 16.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.808 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -59.75 -23.72 63.44 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -52.06 -32.2 33.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -96.21 -26.07 15.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -71.38 -56.0 6.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -47.88 -25.97 1.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -83.85 -40.84 18.15 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 40.1 p -66.85 -33.16 74.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.403 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 1.5 pp20? -74.69 -9.85 58.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 47.1 ttt85 -74.14 -18.83 60.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 89.2 mt -90.08 11.2 21.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.938 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -54.3 148.36 11.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 59.6 mtp85 54.54 46.97 23.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.3 mmtm -103.21 157.85 16.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -96.12 119.23 34.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.919 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -118.94 111.98 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.526 ' N ' HD23 ' A' ' 609' ' ' LEU . 8.6 m-20 62.11 34.06 16.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.807 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.09 80.82 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.438 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -129.39 126.95 39.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -58.1 139.95 53.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -126.29 141.23 51.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -117.9 124.67 48.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 32.4 t -113.4 114.32 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.082 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -107.4 131.92 53.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.403 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 53.9 t -89.87 127.97 42.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.18 164.19 20.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 69.6 p -74.45 151.52 39.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 55.4 tp -44.22 -57.46 3.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -39.27 -52.68 1.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -56.09 -43.8 78.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -58.56 -52.14 66.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 3.9 tpp85 -54.0 -43.8 70.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.829 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.23 -51.32 69.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.45 HG23 ' HD3' ' A' ' 632' ' ' PRO . 91.5 mt -60.07 -58.51 6.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -38.8 -52.06 1.72 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.9 mtmm -65.34 -54.83 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -124.81 90.41 51.02 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.573 0.701 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.47 169.65 0.04 OUTLIER 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.45 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.4 Cg_exo -46.15 155.36 0.65 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.323 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -96.31 -40.8 8.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -113.11 -47.01 3.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 78.5 139.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.481 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 10.8 tppt? -120.94 -39.0 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 110.871 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.2 m -70.86 108.92 4.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 76.77 165.58 22.58 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.567 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.09 109.9 2.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.643 2.229 . . . . 0.0 112.315 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 42.8 t -105.62 -52.84 2.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 4.7 t -121.56 110.74 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.454 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.2 t -56.38 105.32 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.847 0.356 . . . . 0.0 110.905 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 88.7 p -167.38 140.68 3.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -48.2 143.43 7.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 67.5 m -93.17 96.53 10.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.865 0.364 . . . . 0.0 110.929 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 50.9 p -42.09 -56.8 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.785 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 58.03 -179.6 1.09 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.46 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 536' ' ' GLU . 2.0 pp20? -141.48 116.0 9.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.946 0.403 . . . . 0.0 110.942 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -112.94 -131.25 5.46 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -148.33 136.41 21.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.433 HG23 ' N ' ' A' ' 540' ' ' ASN . 27.1 m -72.56 -41.24 63.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.433 ' N ' HG23 ' A' ' 539' ' ' VAL . 14.0 t30 -49.09 -44.54 42.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 23.7 t -110.51 85.52 2.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -103.59 142.7 33.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -85.83 102.46 13.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.3 m -129.34 28.89 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.1 m -139.31 136.99 35.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . 0.418 ' HB1' ' CG1' ' A' ' 616' ' ' VAL . . . -127.4 123.95 37.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.084 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -96.31 128.06 42.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 40.4 mt -104.2 124.82 58.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 43.5 p -129.0 -177.67 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 56.3 31.21 18.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.1 pt -103.01 154.41 37.58 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.55 0.69 . . . . 0.0 111.132 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.02 130.39 11.25 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.72 2.28 . . . . 0.0 112.33 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -73.42 -2.84 24.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 12.5 m -70.86 -29.75 65.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 12.3 pt -86.42 168.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 557' ' ' LYS . 22.8 p -127.6 168.87 14.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 556' ' ' THR . 38.7 tttt -36.85 -49.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 11.1 mtp -48.15 -53.54 16.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.456 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.7 m-20 -52.04 -49.86 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 73.9 t -52.6 -52.04 29.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.615 HD11 ' HG2' ' A' ' 571' ' ' GLU . 60.9 mt -43.81 -39.8 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -67.66 -40.19 84.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -52.3 -34.93 49.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -86.8 29.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -57.09 120.9 8.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.06 -35.08 4.43 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 69.0 mt -91.96 132.35 32.93 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.608 0.718 . . . . 0.0 111.145 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -78.22 102.28 1.55 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.724 2.282 . . . . 0.0 112.367 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.1 p -146.9 139.72 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.081 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -74.09 172.72 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.615 ' HG2' HD11 ' A' ' 561' ' ' LEU . 12.0 mt-10 -72.38 -44.42 62.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -56.96 -37.76 72.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.486 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -44.08 -41.87 5.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.089 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 18.9 t -86.54 130.57 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -119.87 104.31 10.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 79.4 t -77.69 131.36 34.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 587' ' ' GLN . 39.3 mt -71.89 176.77 4.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.1 m -148.19 157.53 8.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.419 ' CG ' HD21 ' A' ' 585' ' ' LEU . 28.8 t0 -116.78 177.55 4.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -49.54 -44.33 46.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -89.63 23.94 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.81 48.83 4.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -120.66 29.43 7.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 110.9 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 64.41 158.16 0.27 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.419 HD21 ' CG ' ' A' ' 579' ' ' ASP . 40.7 mt -122.16 39.96 3.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.938 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 41.9 41.91 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.443 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 46.6 mt-30 -154.77 148.49 25.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.734 0.302 . . . . 0.0 110.989 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.78 150.11 22.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.669 HD13 ' HG2' ' A' ' 624' ' ' MET . 53.9 mt -110.48 152.95 25.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.633 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 41.5 t -127.45 122.25 59.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -103.37 112.38 25.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.633 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 47.3 m-85 -102.31 155.62 18.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -65.94 -64.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -128.96 161.48 29.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 597' ' ' ASP . 50.0 mt-10 -49.71 -36.26 24.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.832 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -42.27 -25.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 595' ' ' GLU . 7.6 m-20 -96.02 -47.23 6.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -56.07 -55.57 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 598' ' ' ALA . 57.1 mtm-85 -37.6 -29.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 598' ' ' ALA . 36.8 mttt -85.09 -41.73 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 598' ' ' ALA . 4.7 p -60.2 -37.44 80.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.445 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 4.3 pt-20 -69.16 -9.96 55.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.4 tpp85 -81.13 -11.12 59.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.87 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 85.1 mt -98.9 8.99 44.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.512 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 31.7 t60 -56.05 137.59 50.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.512 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 58.0 mtm180 62.89 53.48 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -106.06 156.45 18.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -93.04 92.08 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.953 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.533 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.8 tt -96.81 109.2 21.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.457 ' N ' HD23 ' A' ' 609' ' ' LEU . 44.7 t30 63.2 29.91 15.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.06 13.81 76.42 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.456 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 28.7 mmt180 -125.18 129.36 49.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 110.929 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -72.77 109.31 6.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -96.09 145.94 25.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.122 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -117.19 125.36 51.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.418 ' CG1' ' HB1' ' A' ' 546' ' ' ALA . 48.7 t -109.04 121.39 62.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.091 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -109.26 126.03 52.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.445 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 95.9 t -84.76 104.84 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.072 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 15.1 m -116.96 177.05 2.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 18.0 p -81.33 178.51 8.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.107 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.524 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.1 tm? -64.69 -59.58 4.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.76 -41.64 67.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -58.06 -26.29 62.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.4 tmm? -80.22 -36.23 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -71.98 -36.11 69.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -68.7 -31.92 71.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 58.7 mt -79.8 -31.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -71.82 -44.83 63.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 630' ' ' ASN . 14.9 ptmt -65.84 -46.58 77.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.467 ' N ' ' CG ' ' A' ' 629' ' ' LYS . 5.9 t-20 -130.84 92.73 33.28 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.7 153.19 33.72 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.732 2.288 . . . . 0.0 112.364 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.08 -177.96 4.22 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.717 2.278 . . . . 0.0 112.3 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -124.43 -52.62 1.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -95.3 42.68 1.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 41.17 57.36 3.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.467 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -169.92 122.51 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 8.3 t -75.28 -55.85 5.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 102.01 83.78 1.75 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.514 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.05 176.37 10.21 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.6 t -112.74 117.15 31.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 52.4 p -140.02 157.2 46.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.852 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.7 t -123.95 142.47 51.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.899 -179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 t -82.69 -47.51 11.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 128.32 112.03 1.64 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.535 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 69.5 m -59.25 99.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.874 0.369 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 3.5 m -69.28 146.96 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.826 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 126.11 -70.62 0.48 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.441 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -120.19 141.02 50.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -99.09 -179.8 31.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.506 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -122.77 136.98 55.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.341 . . . . 0.0 110.858 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 33.9 m -84.71 39.34 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -38.03 157.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.4 p -39.18 99.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -117.22 133.41 56.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.136 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -85.18 105.66 16.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.82 36.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.122 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 56.3 m -151.73 137.92 18.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.948 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.17 132.38 51.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.479 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 11.2 t-160 -105.24 135.39 46.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.868 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 31.9 mt -112.51 130.71 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 70.6 p -133.27 179.94 5.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 613' ' ' GLU . 60.2 t-20 60.34 25.96 15.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 15.5 pt -102.26 154.36 37.46 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.538 0.685 . . . . 0.0 111.17 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.95 135.34 21.08 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -84.77 29.68 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 97.4 p -109.21 -22.0 12.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.825 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.462 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 34.6 pt -82.8 164.92 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 80.7 p -117.01 170.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -41.18 -48.75 3.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.81 -52.16 19.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.462 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.2 m-20 -50.1 -59.88 3.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 96.8 t -45.28 -53.26 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.602 HD13 ' OE2' ' A' ' 571' ' ' GLU . 87.9 mt -53.16 -37.35 61.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.7 tp60 -69.85 -18.85 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -89.08 -23.37 22.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.883 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 22.2 mt -107.74 30.34 6.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -68.34 133.01 48.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 115.57 -22.13 12.14 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.466 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.689 ' O ' HG12 ' A' ' 569' ' ' VAL . 41.1 mt -99.48 106.26 38.46 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.658 0.742 . . . . 0.0 111.155 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -44.64 100.15 0.04 OUTLIER 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.764 2.309 . . . . 0.0 112.299 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 567' ' ' ILE . 7.2 p -155.89 156.25 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.053 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 569' ' ' VAL . 5.3 t70 -90.85 162.21 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.602 ' OE2' HD13 ' A' ' 561' ' ' LEU . 2.9 mm-40 -60.22 -57.97 10.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -46.92 -39.86 13.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 570' ' ' ASP . . . -41.71 -29.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.062 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.445 HG21 HD23 ' A' ' 561' ' ' LEU . 94.9 t -89.34 130.78 38.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -120.09 102.06 8.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 84.2 t -86.9 125.04 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.743 HD12 ' HB2' ' A' ' 587' ' ' GLN . 57.6 mt -71.13 153.3 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 34.3 m -148.77 160.48 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 582' ' ' GLY . 21.2 t70 -117.85 177.06 4.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -44.75 -43.93 8.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -75.15 -23.64 57.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.16 -29.73 11.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.487 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 61.3 mt-30 -45.63 -47.64 14.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.42 168.18 35.59 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 9.3 mt -86.82 -30.68 21.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.426 ' C ' ' HG3' ' A' ' 587' ' ' GLN . . . 114.92 50.46 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.446 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.743 ' HB2' HD12 ' A' ' 577' ' ' LEU . 65.3 mt-30 -153.46 160.26 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.78 145.85 15.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 624' ' ' MET . 41.2 mt -110.05 158.79 17.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 62.1 t -137.19 126.16 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -103.8 112.41 25.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -98.12 160.9 14.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -51.39 10.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -136.33 161.26 36.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -52.07 -26.83 11.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.46 -29.74 7.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 3.6 m-20 -92.77 -49.39 6.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 601' ' ' SER . . . -54.25 -54.95 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -41.47 -25.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.428 ' N ' ' O ' ' A' ' 598' ' ' ALA . 31.4 mttt -88.71 -38.04 15.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 598' ' ' ALA . 52.1 p -63.27 -25.65 68.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.0 pt-20 -79.53 -31.42 42.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -61.09 -24.5 66.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 95.2 mt -84.29 10.19 11.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.432 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 44.2 t60 -59.02 142.34 51.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.432 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 26.9 mtp180 61.11 47.88 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.822 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 10.0 mmtm -100.53 160.04 14.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 25.7 mttp -101.15 97.03 7.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.434 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.3 tt -94.08 110.01 21.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 62.41 30.79 17.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 84.0 12.03 77.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.534 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -121.52 135.1 55.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.794 0.331 . . . . 0.0 110.844 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.436 ' O ' ' ND2' ' A' ' 550' ' ' ASN . 11.0 mp0 -75.64 120.68 21.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.843 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.12 153.18 27.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -119.4 131.35 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 13.8 t -115.17 122.51 69.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -114.52 135.0 54.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.488 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 17.3 t -93.75 125.64 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.5 m -139.65 -178.7 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 8.6 p -86.31 169.87 12.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tt -57.6 -60.98 2.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -44.26 -57.12 3.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -44.5 -47.98 10.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 589' ' ' LEU . 4.9 ttp -55.47 -47.32 76.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.935 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.444 ' CD ' ' HE3' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -59.35 -54.19 49.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -52.07 -35.24 46.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.631 HG23 ' HD3' ' A' ' 632' ' ' PRO . 86.5 mt -70.44 -42.51 78.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -65.41 -52.38 53.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 16.1 ptpt -55.3 -44.29 75.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.913 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.478 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 78.1 m-20 -134.76 82.3 44.59 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.684 0.754 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.56 148.79 2.1 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.631 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -77.76 131.46 11.27 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.731 2.288 . . . . 0.0 112.353 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -47.29 -42.23 20.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -157.44 168.74 26.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -112.29 81.31 0.29 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.524 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 30.2 pttt -47.47 126.59 9.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 5.5 m -104.11 92.74 4.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -150.64 76.1 0.24 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -78.52 38.03 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.678 2.252 . . . . 0.0 112.338 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 9.3 t -43.97 120.0 1.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -136.63 154.42 50.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 67.5 m -123.72 87.16 2.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 12.3 t -126.26 105.79 9.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -171.36 151.7 16.15 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.505 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 64.1 p -80.79 166.75 20.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.376 . . . . 0.0 110.818 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 9.6 t -90.74 88.52 7.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.824 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -85.67 -168.47 44.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.468 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -114.91 -66.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 110.871 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -156.7 96.6 0.16 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -111.98 153.84 26.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 0.0 110.826 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.601 HG22 ' O ' ' A' ' 539' ' ' VAL . 3.8 p -104.0 -3.92 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -80.01 -39.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.4 m -125.72 84.79 2.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.6 143.23 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.403 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 22.9 mttp -80.55 89.61 5.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -117.82 23.9 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 50.3 m -135.12 154.14 51.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.4 139.33 31.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.159 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.498 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 12.0 t-160 -112.53 133.09 54.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . 0.549 HG12 HG22 ' A' ' 616' ' ' VAL . 82.3 mt -114.95 121.49 67.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.8 HG22 ' HG2' ' A' ' 587' ' ' GLN . 64.0 p -128.97 170.38 13.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 69.97 39.53 1.39 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.7 pt -121.76 142.85 36.92 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.658 0.742 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . 0.488 ' HG3' ' CD ' ' A' ' 612' ' ' ARG . 73.8 Cg_exo -47.44 107.07 0.12 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.695 2.264 . . . . 0.0 112.348 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -59.78 -10.86 4.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 32.9 t -65.33 -33.85 76.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.473 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 6.2 pt -75.94 166.3 2.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.038 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 36.6 p -122.68 179.91 4.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.13 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 29.0 tttt -46.12 -44.58 15.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 27.8 mtp -49.96 -54.33 20.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.898 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.473 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 1.0 OUTLIER -51.92 -58.3 6.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.8 t -43.27 -49.81 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 76.7 mt -49.67 -36.73 25.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.923 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -72.22 -25.93 61.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -71.18 -41.44 70.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 42.7 mt -86.85 21.56 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -51.47 132.26 29.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.852 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.48 -39.51 2.84 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.473 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 87.4 mt -77.79 129.32 76.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -77.16 91.13 1.19 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.742 2.295 . . . . 0.0 112.418 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.5 p -153.77 138.27 9.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -60.64 158.02 13.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -68.2 -43.02 79.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -51.0 -34.49 29.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -49.08 -22.39 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.112 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 40.8 t -92.98 127.29 45.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.8 m170 -118.59 105.3 11.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 96.4 t -84.26 122.94 38.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.414 HD12 ' CB ' ' A' ' 587' ' ' GLN . 82.3 mt -68.16 171.17 7.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.8 m -148.75 160.31 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.412 ' HB3' ' CD1' ' A' ' 585' ' ' LEU . 0.4 OUTLIER -117.1 175.12 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -47.55 -41.82 22.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.33 -22.26 61.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 78.41 32.42 42.68 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -99.85 -49.01 4.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 135.36 129.9 2.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.481 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.412 ' CD1' ' HB3' ' A' ' 579' ' ' ASP . 6.1 mp -88.84 29.45 1.02 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.851 0.357 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.77 31.53 31.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.424 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.8 ' HG2' HG22 ' A' ' 549' ' ' THR . 20.1 mt-30 -130.63 131.75 45.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.934 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -135.41 138.63 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.969 HD22 ' HG3' ' A' ' 624' ' ' MET . 27.4 mt -106.82 163.19 13.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.7 t -145.46 145.0 20.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.559 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 30.1 tt0 -126.06 143.54 51.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -130.65 173.13 11.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 32.4 mmtm -84.49 -42.13 15.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 11.3 m-80 -147.11 161.62 40.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 598' ' ' ALA . 37.3 mt-10 -48.44 -42.74 33.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -40.88 -31.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -94.5 -28.02 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.71 -53.99 10.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -42.69 -44.47 4.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -48.66 -42.0 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 38.2 p -57.5 -39.22 76.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.446 ' CD ' HG21 ' A' ' 618' ' ' VAL . 38.4 mt-10 -62.17 -30.17 70.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 5.4 tpt85 -62.98 -33.86 76.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.442 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 95.3 mt -86.4 11.38 12.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -60.34 148.21 37.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 53.75 38.42 28.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 12.4 mmmt -89.93 165.49 14.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -105.51 107.36 18.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.931 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.452 HD23 ' C ' ' A' ' 609' ' ' LEU . 2.3 tt -104.27 107.81 18.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 60.4 25.88 15.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.8 20.35 47.54 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.436 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . 0.488 ' CD ' ' HG3' ' A' ' 552' ' ' PRO . 2.1 mpt_? -133.33 116.95 16.73 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.826 0.346 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.28 127.43 32.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.37 144.39 41.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.0 m-85 -113.17 123.07 49.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 548' ' ' ILE . 33.8 t -109.21 113.16 43.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.119 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 67.5 m80 -102.29 154.15 19.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.446 HG21 ' CD ' ' A' ' 602' ' ' GLU . 85.8 t -110.34 115.12 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 22.5 m -129.23 165.79 28.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 78.4 p -84.92 156.0 21.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.138 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.7 tp -47.37 -46.53 25.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.84 -42.1 79.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 65.3 m-20 -66.34 -44.41 83.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.969 ' HG3' HD22 ' A' ' 589' ' ' LEU . 5.8 ttp -61.0 -49.21 78.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -51.07 -39.7 56.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.827 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.34 -50.82 58.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.523 HG23 ' HD3' ' A' ' 632' ' ' PRO . 79.6 mt -54.87 -45.25 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.083 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.613 ' OE1' HD12 ' A' ' 589' ' ' LEU . 38.8 tp10 -56.28 -59.17 5.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 14.4 mtpt -55.58 -51.4 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.919 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -126.17 84.69 61.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.704 0.764 . . . . 0.0 110.809 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.3 165.82 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.697 2.265 . . . . 0.0 112.358 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.523 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -76.61 127.17 9.43 Favored 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.692 2.261 . . . . 0.0 112.365 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -109.39 98.78 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 42.83 38.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 636' ' ' LYS . . . -111.63 -99.14 2.47 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.474 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 635' ' ' GLY . 0.0 OUTLIER 33.62 52.99 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.853 0.358 . . . . 0.0 110.931 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 94.9 p -105.34 165.52 11.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 103.43 145.71 15.55 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.35 111.28 0.34 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.672 2.248 . . . . 0.0 112.374 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 62.9 p -54.27 112.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.827 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 70.7 p -125.42 43.52 3.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.799 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.478 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.1 t -64.41 162.86 14.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.748 0.308 . . . . 0.0 110.967 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 95.7 p -125.56 116.66 22.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.78 -132.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.1 t -128.54 112.21 14.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.955 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 26.6 t -147.46 166.27 27.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 104.12 84.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -58.82 -59.12 5.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 110.56 90.72 2.04 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.556 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.74 166.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.2 -3.97 5.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.16 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -76.58 -47.99 20.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . 0.667 ' OG ' HG21 ' A' ' 620' ' ' THR . 22.5 t -109.1 88.71 2.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.423 ' HB1' ' OE2' ' A' ' 595' ' ' GLU . . . -82.38 146.14 29.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.079 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.449 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 41.7 mttt -83.04 99.23 9.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 14.3 m -124.12 17.27 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 94.0 m -136.29 144.22 44.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.17 144.64 51.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.15 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.549 ' CD2' HD23 ' A' ' 589' ' ' LEU . 13.1 t-160 -113.74 127.68 56.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 45.4 mt -106.41 118.54 54.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.101 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.511 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 20.8 p -127.36 175.09 8.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 67.16 25.82 8.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.3 pt -98.78 155.58 36.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.546 0.689 . . . . 0.0 111.166 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.57 123.15 6.82 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.758 2.305 . . . . 0.0 112.305 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -70.53 -0.3 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 7.2 t -70.73 -25.38 62.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 19.5 pt -88.77 169.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.132 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 557' ' ' LYS . 69.7 p -118.86 161.43 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.098 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.1 OUTLIER -36.56 -49.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 44.7 ttm -49.6 -49.91 44.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -53.45 -45.9 69.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 46.8 t -53.46 -46.02 58.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.41 HD13 ' HG2' ' A' ' 571' ' ' GLU . 77.8 mt -53.26 -32.32 47.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.76 -37.64 79.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -71.34 -15.55 62.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 96.7 mt -101.42 25.46 8.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -67.09 128.08 35.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 106.48 -15.68 41.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.405 ' O ' HG12 ' A' ' 569' ' ' VAL . 40.7 mt -106.47 101.58 36.42 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.598 0.713 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.62 109.16 0.2 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.411 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.582 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.4 p -166.77 150.48 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -85.61 165.9 16.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.41 ' HG2' HD13 ' A' ' 561' ' ' LEU . 53.7 mt-10 -66.37 -36.26 82.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -64.22 -31.65 72.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.582 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.46 -18.57 2.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.59 126.14 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.23 124.21 49.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 99.5 t -89.68 130.59 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.429 HD12 ' HB3' ' A' ' 587' ' ' GLN . 28.6 mt -85.55 158.22 20.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.7 m -148.93 162.25 5.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.6 t70 -118.03 170.4 8.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -44.68 -47.12 10.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.967 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -70.67 -21.86 62.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 66.75 42.62 93.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.437 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -103.9 -14.45 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.902 0.382 . . . . 0.0 110.937 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 83.54 129.58 1.6 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.91 29.83 7.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.875 0.369 . . . . 0.0 110.992 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 51.81 75.69 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.492 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.429 ' HB3' HD12 ' A' ' 577' ' ' LEU . 32.9 mt-30 -161.09 132.08 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.862 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -147.78 144.09 27.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.549 HD23 ' CD2' ' A' ' 547' ' ' HIS . 60.8 mt -109.14 151.26 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.941 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 3.9 t -131.34 139.79 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 8.1 tm0? -122.64 140.63 52.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.65 167.59 16.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.449 ' CD ' ' H ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -85.17 -48.34 9.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.934 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -126.76 149.57 49.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 598' ' ' ALA . 53.8 mt-10 -52.15 -33.5 40.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -40.34 -33.28 0.24 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -95.83 -24.15 16.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.21 -48.5 42.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 599' ' ' ARG . 5.6 mmm180 -56.28 -13.79 2.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 603' ' ' ARG . 40.3 mttt -88.92 -56.22 3.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 59.5 p -42.55 -38.83 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.474 ' CD ' ' N ' ' A' ' 603' ' ' ARG . 2.4 pp20? -68.92 -34.87 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 602' ' ' GLU . 51.9 ttp85 -51.53 -27.54 11.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 33.9 mt -82.85 16.52 2.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.485 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 10.0 t60 -62.02 151.57 34.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.485 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 49.3 mtp180 51.36 42.13 28.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -97.43 156.58 16.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.7 mttp -98.65 110.25 22.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.8 tt -111.08 113.36 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.437 ' N ' HD23 ' A' ' 609' ' ' LEU . 23.0 t-20 61.2 36.64 17.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 75.38 16.77 80.42 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.441 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -135.47 117.09 14.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.364 . . . . 0.0 110.813 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -53.3 147.55 10.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -135.09 133.84 39.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -102.09 128.36 48.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.7 t -113.64 128.34 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -111.97 158.23 19.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 64.9 t -116.57 119.5 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.056 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.25 176.69 8.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.185 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . 0.667 HG21 ' OG ' ' A' ' 541' ' ' SER . 26.6 p -93.55 160.17 14.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.4 tp -48.82 -47.99 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -56.02 -43.76 78.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -64.65 -50.45 67.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.415 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.2 ttp -52.76 -48.93 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.46 9.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.91 -60.54 2.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.2 mt -40.59 -40.77 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -52.26 -49.89 63.18 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -78.21 -47.09 18.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -115.24 83.01 9.69 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.613 0.721 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -75.44 169.7 21.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.6 2.2 . . . . 0.0 112.365 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -74.98 -173.05 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.68 2.253 . . . . 0.0 112.334 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . 66.05 44.75 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 73.11 47.35 0.2 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -116.39 -4.8 17.46 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.459 ' H ' ' CE ' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -120.58 31.75 6.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 31.3 t -58.01 -41.93 84.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.817 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 78.21 -146.55 30.65 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.479 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -44.84 132.43 10.55 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.693 2.262 . . . . 0.0 112.37 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 30.2 t -69.96 -64.26 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 91.3 p -71.98 170.43 13.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.443 -180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 50.5 p -97.11 42.51 1.09 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 42.0 t -111.92 -58.45 2.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 126.43 -130.94 7.21 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 5.7 m -128.7 105.7 8.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.835 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 93.4 p -73.03 147.35 45.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -141.49 -98.32 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -98.82 141.05 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.891 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -59.3 174.29 3.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -134.12 135.01 42.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 7.1 p -56.14 -20.88 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.03 159.98 31.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 30.7 m 41.79 52.65 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.41 145.8 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -82.54 95.07 7.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 544' ' ' VAL . 24.5 m -123.35 40.01 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.105 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 84.7 m -147.3 153.45 39.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.06 129.23 18.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.08 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.0 t-160 -103.91 127.1 51.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.852 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 18.3 mt -104.94 120.91 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.2 p -123.21 173.38 7.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.178 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 68.67 37.02 2.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 34.1 pt -115.96 152.31 47.46 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.63 0.728 . . . . 0.0 111.091 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.96 130.4 12.29 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.733 2.289 . . . . 0.0 112.249 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -70.45 -1.4 10.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 8.1 t -70.79 -28.63 64.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 15.7 pt -87.31 165.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 71.5 p -125.03 173.26 8.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -44.3 -40.64 5.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.487 ' HA ' HD12 ' A' ' 561' ' ' LEU . 2.6 tpt -54.68 -48.34 72.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.56 -55.37 34.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 89.3 t -43.99 -38.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.638 HD21 ' HA ' ' A' ' 571' ' ' GLU . 49.1 mt -60.78 -36.37 78.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -66.93 -24.74 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -79.26 -27.65 42.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 72.7 mt -100.1 28.66 4.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -66.69 120.87 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 123.6 -29.37 5.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.529 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.449 ' O ' HG12 ' A' ' 569' ' ' VAL . 71.4 mt -96.5 108.53 42.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.626 0.727 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.04 92.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.409 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.449 HG12 ' O ' ' A' ' 567' ' ' ILE . 8.3 p -152.06 138.07 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.34 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.638 ' HA ' HD21 ' A' ' 561' ' ' LEU . 16.4 pt-20 -71.51 -43.87 65.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . 0.401 ' N ' ' HG3' ' A' ' 571' ' ' GLU . 3.4 m120 -54.24 -32.43 55.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.409 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -57.19 -23.26 46.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.064 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 65.8 t -99.77 133.32 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -122.44 104.79 9.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.926 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 82.0 t -77.23 132.78 32.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 631' ' ' PRO . 33.2 mt -78.62 163.13 25.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.0 m -148.95 159.05 6.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.166 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -117.64 -177.43 3.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -49.57 -38.72 32.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.576 HD22 ' N ' ' A' ' 582' ' ' GLY . 0.4 OUTLIER -76.17 -18.88 58.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.576 ' N ' HD22 ' A' ' 581' ' ' ASN . . . 87.13 -33.79 3.74 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . 0.462 ' CG ' ' ND2' ' A' ' 581' ' ' ASN . 6.0 pt20 -53.9 -28.46 36.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.902 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 90.42 -178.07 42.75 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.473 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 22.4 mt -119.31 -30.68 4.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 126.98 62.52 0.14 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -156.57 146.09 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.913 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.08 146.84 27.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.05 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.571 HD22 ' HG3' ' A' ' 624' ' ' MET . 34.5 mt -109.22 149.81 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 17.2 t -132.91 131.66 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -116.76 134.6 54.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -114.72 165.75 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 18.2 mmtm -75.44 -50.32 16.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -134.06 156.5 48.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -49.48 -28.07 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.843 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . 0.484 ' OD1' ' N ' ' A' ' 597' ' ' ASP . 0.5 OUTLIER -39.95 -50.46 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.484 ' N ' ' OD1' ' A' ' 596' ' ' ASP . 44.7 m-20 -80.19 -34.58 37.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.77 -56.3 22.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.434 ' O ' ' CG ' ' A' ' 602' ' ' GLU . 0.0 OUTLIER -52.7 -27.83 19.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.853 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.466 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 32.7 mtmt -76.52 -48.84 18.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 60.3 p -53.58 -43.01 68.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.481 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 3.4 pt-20 -61.19 -18.03 56.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -73.65 -11.43 60.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 73.3 mt -96.82 12.43 32.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.445 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 22.3 t60 -63.16 141.33 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.841 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.445 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 55.5 mtm180 65.37 41.69 4.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.419 ' HA ' ' CE ' ' A' ' 607' ' ' LYS . 0.1 OUTLIER -92.03 -175.65 4.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 38.4 mttm -126.5 93.87 3.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.7 tt -96.04 113.83 25.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.474 ' N ' HD23 ' A' ' 609' ' ' LEU . 24.6 m-20 61.19 39.11 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.17 12.66 79.64 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -122.13 135.83 54.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 0.0 110.918 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -66.74 123.47 20.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -103.22 141.85 35.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -120.89 117.82 28.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.1 142.84 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -133.03 121.22 22.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 96.8 t -81.9 117.0 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.4 -176.14 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 12.6 p -94.56 174.96 6.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.447 HD13 ' O ' ' A' ' 621' ' ' LEU . 0.3 OUTLIER -65.35 -58.4 5.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -50.52 -44.02 56.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -58.66 -54.09 50.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.571 ' HG3' HD22 ' A' ' 589' ' ' LEU . 12.2 ttp -47.09 -32.52 4.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -69.43 -49.53 54.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -59.64 -29.51 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 62.8 mt -72.78 -31.59 37.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.173 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -70.73 -44.58 66.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 20.7 pttp -64.0 -39.12 93.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.475 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 22.5 t-20 -134.81 93.21 18.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.572 0.701 . . . . 0.0 110.941 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.475 ' HB3' HD13 ' A' ' 577' ' ' LEU . 61.4 Cg_endo -76.76 148.18 28.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.721 2.28 . . . . 0.0 112.365 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.17 -176.67 3.37 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.659 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -144.98 154.06 42.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.8 tt0 -49.25 98.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.45 -128.21 0.96 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.481 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 15.0 ttpp -126.92 114.85 18.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.811 0.339 . . . . 0.0 110.838 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 43.9 p -84.12 -58.5 2.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 170.95 95.25 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.3 163.1 0.08 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.668 2.246 . . . . 0.0 112.374 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 45.0 t -113.05 91.59 3.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.6 p -142.4 173.03 11.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.901 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.55 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 1.3 t -65.38 86.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 59.3 p -76.32 -52.03 10.76 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 116.38 -157.56 14.97 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 51.1 m -52.45 163.59 0.41 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 58.7 m -126.93 42.18 3.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 110.33 39.93 1.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.516 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -72.58 112.51 8.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -82.94 74.28 2.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.452 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -41.53 144.81 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.79 0.328 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 88.2 t -79.21 -42.78 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -79.18 -41.19 28.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.95 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.3 m -98.84 47.87 0.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -88.95 148.48 23.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.0 mttt -86.33 92.81 8.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.2 m -123.95 33.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.117 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.6 m -148.84 139.14 22.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -126.84 135.12 50.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.602 ' CD2' HD23 ' A' ' 589' ' ' LEU . 8.8 t-160 -109.41 125.04 51.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 54.1 mt -104.67 129.62 56.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 2.7 p -134.15 178.53 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 45.5 t-20 56.77 41.39 28.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.523 HG22 ' HB2' ' A' ' 614' ' ' ALA . 23.5 pt -122.44 147.3 49.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.55 0.69 . . . . 0.0 111.17 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.76 122.31 4.92 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.615 2.21 . . . . 0.0 112.398 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.36 26.36 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.816 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 92.1 p -113.26 -12.4 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 13.1 pt -86.33 172.48 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.165 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 557' ' ' LYS . 80.5 p -125.72 162.87 24.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.18 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.439 ' O ' ' C ' ' A' ' 558' ' ' MET . 1.3 ttmp? -34.79 -61.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.892 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.439 ' C ' ' O ' ' A' ' 557' ' ' LYS . 14.5 ttm -35.12 -47.21 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.812 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -62.83 -48.31 79.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 557' ' ' LYS . 72.1 t -55.51 -43.52 72.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 27.5 mt -57.24 -43.1 82.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.948 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.49 -43.62 96.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 68.8 t80 -64.54 -20.12 66.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 39.2 mt -103.12 4.88 37.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -42.91 140.53 1.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 102.91 -10.52 55.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.519 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 569' ' ' VAL . 8.1 mt -111.75 100.95 50.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.655 0.741 . . . . 0.0 111.167 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -47.92 101.91 0.05 OUTLIER 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.624 2.216 . . . . 0.0 112.356 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.641 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.1 p -163.06 140.37 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.139 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -76.44 172.0 13.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -65.72 -52.32 52.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -47.31 -39.49 14.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.641 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -47.17 -33.67 5.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.083 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.432 HG22 HG13 ' A' ' 590' ' ' VAL . 96.4 t -91.87 121.47 42.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -111.24 103.15 11.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.826 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.0 t -85.01 130.11 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.122 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.458 HD12 ' HB2' ' A' ' 587' ' ' GLN . 71.8 mt -73.23 -175.02 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 11.4 m -147.91 153.91 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -115.08 -175.26 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -48.83 -42.15 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.508 HD22 ' NE2' ' A' ' 583' ' ' GLN . 13.9 t-20 -89.88 26.3 1.85 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 36.55 33.42 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . 0.508 ' NE2' HD22 ' A' ' 581' ' ' ASN . 3.6 pt20 -112.48 -3.57 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.828 0.347 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 91.18 150.69 25.52 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.416 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.685 HD13 ' HG3' ' A' ' 587' ' ' GLN . 0.3 OUTLIER -111.28 17.47 20.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.855 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 82.54 37.96 13.2 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.479 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.685 ' HG3' HD13 ' A' ' 585' ' ' LEU . 7.8 mt-30 -140.79 126.32 18.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.832 0.349 . . . . 0.0 110.846 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.48 145.54 35.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.602 HD23 ' CD2' ' A' ' 547' ' ' HIS . 45.9 mt -108.63 154.57 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.432 HG13 HG22 ' A' ' 574' ' ' VAL . 15.2 t -136.12 127.33 43.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.149 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.572 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 27.0 tt0 -113.06 119.72 38.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -104.74 176.73 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -88.81 -57.48 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -127.44 151.49 48.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -45.61 -23.69 0.27 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.62 -36.84 25.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.438 ' HB3' ' CG2' ' A' ' 567' ' ' ILE . 95.8 m-20 -92.21 -35.12 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.11 -55.7 29.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -47.77 -21.04 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -81.71 -46.52 14.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.1 p -54.18 -36.26 63.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -72.05 -14.47 61.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.876 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -73.94 -10.85 60.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 97.3 mt -100.62 13.69 33.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.497 ' CE1' ' HG3' ' A' ' 606' ' ' ARG . 29.9 t60 -60.36 137.85 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.497 ' HG3' ' CE1' ' A' ' 605' ' ' HIS . 17.6 mtp85 62.36 43.83 7.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 13.3 mmmt -98.0 166.96 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -107.91 103.1 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.562 HD23 ' N ' ' A' ' 610' ' ' ASN . 2.9 tt -104.6 115.46 30.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.562 ' N ' HD23 ' A' ' 609' ' ' LEU . 9.9 t-20 61.08 27.74 17.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.71 18.21 64.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.483 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -130.55 132.59 45.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.736 0.303 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -68.73 135.72 51.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . 0.523 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -123.1 155.31 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -128.05 128.05 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 3.6 t -107.86 133.58 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 51.3 m80 -124.34 118.85 27.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 41.1 t -78.5 124.4 36.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.028 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.74 -176.23 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 20.0 p -97.46 159.34 14.98 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.9 tp -50.43 -55.32 16.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -48.53 -49.04 37.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.928 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -57.8 -45.21 86.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.454 ' HG2' HD13 ' A' ' 589' ' ' LEU . 1.2 ttp -56.17 -45.79 79.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -61.55 -48.54 80.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -56.19 -19.86 15.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 55.0 mt -90.06 -35.79 7.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -71.74 -13.61 61.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.47 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 18.4 ptmt -93.37 -42.83 9.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 75.0 m-20 -134.55 78.61 55.99 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.708 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.43 149.76 1.56 Allowed 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.604 2.203 . . . . 0.0 112.404 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -76.96 123.27 6.68 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.324 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -52.41 -41.77 63.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -116.85 -44.26 2.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 145.98 170.59 14.79 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.0 140.44 29.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.1 t -106.7 140.79 39.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.897 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -135.85 68.3 0.53 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.542 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -77.02 111.42 3.22 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.262 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 87.7 p -153.9 119.8 5.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 59.0 m -84.8 84.01 7.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.787 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 -179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 74.4 m -105.19 86.79 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.914 0.388 . . . . 0.0 110.837 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.4 t -56.56 122.08 11.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 71.78 162.71 5.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 32.3 t -131.33 -55.68 1.03 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.891 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.3 p -64.37 118.43 8.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.857 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -89.59 72.12 2.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.496 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.36 -45.21 76.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 137.96 116.3 1.45 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.448 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -172.34 123.61 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.0 t -89.88 99.95 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -161.24 147.65 14.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 16.8 m 40.01 42.63 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -75.18 139.32 42.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.105 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 41.1 mttt -69.93 94.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.968 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 4.3 m -122.6 26.85 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 16.7 m -142.55 143.5 32.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.41 136.42 49.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.401 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 15.7 t-160 -102.64 142.97 32.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -121.15 116.97 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.175 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.401 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 59.2 p -124.88 -179.86 4.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.5 m120 56.66 48.52 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.8 pt -128.61 144.06 50.75 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 111.162 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -46.55 131.65 15.75 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.62 2.214 . . . . 0.0 112.389 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 8.9 p90 -89.79 29.11 1.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 19.7 t -117.81 -18.59 9.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 8.8 pt -80.19 163.92 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 559' ' ' ASP . 63.5 p -117.95 162.54 17.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.081 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 557' ' ' LYS . 0.0 OUTLIER -37.95 -45.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 179.889 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.5 tpt -52.16 -45.54 65.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 556' ' ' THR . 2.1 m-20 -61.45 -35.29 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 33.5 t -67.1 -42.63 88.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 91.7 mt -53.14 -35.1 59.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -73.19 -41.86 63.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.901 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -66.02 -22.94 66.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.1 mt -103.26 10.44 37.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.926 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.96 127.35 29.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 121.25 -26.18 6.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.502 HG23 ' HD3' ' A' ' 600' ' ' LYS . 69.6 mt -100.05 105.64 36.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.586 0.708 . . . . 0.0 111.145 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -44.36 111.09 0.25 Allowed 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.652 2.235 . . . . 0.0 112.413 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 573' ' ' ALA . 10.8 p -167.97 152.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.092 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . 0.511 ' CG ' ' HB2' ' A' ' 573' ' ' ALA . 4.7 p-10 -80.81 156.18 26.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -71.33 -17.21 62.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -95.64 5.79 50.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.511 ' HB2' ' CG ' ' A' ' 570' ' ' ASP . . . -88.98 -21.65 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 590' ' ' VAL . 59.8 t -94.05 119.05 41.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -99.71 129.83 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 57.6 t -95.47 128.22 46.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 587' ' ' GLN . 72.2 mt -78.03 164.23 25.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.8 m -148.86 161.06 5.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.121 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.6 OUTLIER -117.69 179.92 3.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 581' ' ' ASN . 0.8 OUTLIER -44.18 -42.93 6.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.468 ' N ' ' OD1' ' A' ' 580' ' ' ASN . 26.5 m-20 -76.26 -24.8 54.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.98 -24.81 29.43 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.488 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -65.99 -14.1 61.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.843 0.354 . . . . 0.0 110.976 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 71.3 174.12 18.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.516 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.09 15.84 26.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.851 0.358 . . . . 0.0 110.841 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 79.49 63.41 2.03 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.476 ' CB ' HD12 ' A' ' 577' ' ' LEU . 56.7 mt-30 -155.6 147.57 23.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.911 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.47 147.05 26.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.076 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 624' ' ' MET . 43.9 mt -108.49 155.16 20.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.563 HG22 HG22 ' A' ' 574' ' ' VAL . 61.0 t -132.3 130.76 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -105.29 121.15 43.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -108.44 163.09 13.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -80.16 -55.54 4.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -130.22 157.72 41.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.867 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 598' ' ' ALA . 30.8 mt-10 -49.01 -41.27 34.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -42.05 -28.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -92.9 -33.93 14.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -70.23 -54.73 11.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.42 ' C ' ' HD2' ' A' ' 599' ' ' ARG . 0.6 OUTLIER -43.72 -24.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 -179.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 567' ' ' ILE . 22.5 mtpp -69.11 -50.66 46.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 83.2 p -50.51 -26.02 4.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.535 ' CG ' HG21 ' A' ' 618' ' ' VAL . 20.6 mt-10 -70.16 -32.26 70.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 25.2 ttt-85 -65.52 -29.68 70.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 91.4 mt -89.83 12.67 16.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.553 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 54.6 t60 -60.46 146.03 46.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 57.2 mtp180 58.07 34.96 24.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.512 ' O ' ' HB3' ' A' ' 614' ' ' ALA . 16.7 mmmt -88.57 152.62 21.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -88.01 151.18 22.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.522 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.7 tt -151.62 113.45 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.454 ' N ' HD23 ' A' ' 609' ' ' LEU . 11.2 m-20 60.56 28.68 18.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.44 21.61 61.92 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.387 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -133.57 127.63 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.758 0.314 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -57.14 132.13 52.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . 0.512 ' HB3' ' O ' ' A' ' 607' ' ' LYS . . . -116.62 144.96 43.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -120.0 144.64 47.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.8 t -124.2 151.47 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -139.68 155.12 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.535 HG21 ' CG ' ' A' ' 602' ' ' GLU . 48.6 t -123.14 117.49 51.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.24 172.22 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 17.0 p -68.47 166.53 16.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.45 -60.32 3.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 -42.05 -58.6 2.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -39.44 -38.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 589' ' ' LEU . 37.4 ttp -62.74 -48.12 80.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -34.18 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.56 -53.73 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.947 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.709 HG23 ' HD3' ' A' ' 632' ' ' PRO . 90.1 mt -50.85 -39.08 18.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -59.79 -29.34 68.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -76.68 -45.37 29.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.936 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 37.1 t30 -133.09 77.74 66.77 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.642 0.735 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.7 147.65 2.92 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.728 2.285 . . . . 0.0 112.308 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.709 ' HD3' HG23 ' A' ' 627' ' ' ILE . 72.4 Cg_exo -46.93 130.0 15.41 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.741 2.294 . . . . 0.0 112.339 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -68.46 92.46 0.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.12 91.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -145.93 151.11 23.38 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -95.04 -45.43 7.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 35.0 p -54.25 134.04 44.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -171.95 95.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -44.31 141.83 4.74 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.381 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 89.0 p -89.59 119.9 30.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 2.3 t 40.01 45.58 1.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.4 t -87.96 -45.81 9.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.9 0.381 . . . . 0.0 110.908 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.3 t -59.33 138.97 57.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.812 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 73.56 -122.71 7.9 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.484 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 4.8 m 45.45 46.86 10.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.891 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 20.1 m -124.15 125.75 44.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 87.91 57.31 1.94 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -64.04 175.11 1.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.838 0.352 . . . . 0.0 110.858 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 39.4 -110.96 0.17 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.412 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -59.15 102.77 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 542' ' ' ALA . 6.8 p -113.77 163.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.452 ' N ' HG22 ' A' ' 539' ' ' VAL . 75.5 m-20 -40.13 -50.11 2.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.3 t -118.81 73.67 0.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . 0.536 ' HB2' HG12 ' A' ' 539' ' ' VAL . . . -98.14 157.52 16.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 54.1 mttt -90.25 100.05 12.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.52 38.68 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 99.8 m -150.32 150.52 31.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -141.32 129.58 22.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -100.89 123.97 45.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 14.8 mt -100.49 118.91 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 69.5 p -123.57 177.01 5.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.156 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 64.8 29.69 12.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.408 HG13 ' C ' ' A' ' 586' ' ' GLY . 23.4 pt -105.15 153.65 39.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.611 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.35 139.88 23.91 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.252 . . . . 0.0 112.333 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.6 p90 -83.6 36.39 0.54 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 36.7 t -115.72 -31.56 5.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.82 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 18.8 pt -73.35 168.41 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 81.4 p -125.44 174.38 8.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 4.7 ttpm? -45.62 -45.36 13.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 7.9 tpt -51.42 -48.1 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -55.71 -55.75 28.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.4 t -49.43 -50.4 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.157 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.487 HD23 HG21 ' A' ' 574' ' ' VAL . 42.0 mt -59.9 -30.56 69.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -74.73 -46.37 37.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -59.57 -28.54 67.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 604' ' ' LEU . 66.3 mt -92.12 23.62 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.919 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 566' ' ' GLY . 17.8 tp10 -51.8 149.32 4.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 565' ' ' GLU . . . 95.59 -34.98 4.53 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.455 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 85.4 mt -90.84 126.21 56.44 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.658 0.742 . . . . 0.0 111.125 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.63 109.37 2.89 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.376 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.498 HG22 ' HB3' ' A' ' 573' ' ' ALA . 13.9 p -154.87 143.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.088 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -67.42 163.43 20.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -72.63 -32.31 65.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 35.9 t30 -72.1 -32.66 67.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.07 -25.23 3.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.487 HG21 HD23 ' A' ' 561' ' ' LEU . 65.8 t -98.59 119.6 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.15 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -113.55 108.29 16.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 68.1 t -83.98 130.88 35.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.688 HD12 ' HB2' ' A' ' 587' ' ' GLN . 91.8 mt -76.42 154.37 34.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.2 m -148.94 160.61 5.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.478 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.3 t0 -118.0 175.89 5.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -42.07 -45.42 3.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -74.66 -24.62 58.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 102.91 -40.72 2.33 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 582' ' ' GLY . 57.0 mt-30 -35.49 -50.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.907 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 102.99 175.2 26.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.46 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 12.4 mt -105.31 -7.61 18.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.408 ' C ' HG13 ' A' ' 551' ' ' ILE . . . 91.74 52.22 2.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.688 ' HB2' HD12 ' A' ' 577' ' ' LEU . 50.3 mt-30 -153.07 141.36 20.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.721 0.296 . . . . 0.0 110.947 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -146.5 150.35 35.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.438 HD22 ' HG2' ' A' ' 624' ' ' MET . 30.1 mt -112.69 144.89 41.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 126.83 69.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.165 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.503 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.5 tt0 -111.35 120.87 43.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -104.28 163.32 12.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -68.21 -57.55 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.855 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -134.68 -178.5 5.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 40.1 mt-10 -65.51 -21.97 66.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -50.85 -37.79 45.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -93.15 -29.14 15.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -65.74 -55.03 19.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -52.54 -17.83 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -93.56 -32.18 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.5 p -68.46 -35.29 77.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -70.31 -15.4 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.829 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -71.2 -15.32 62.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.837 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.468 ' CD1' HD23 ' A' ' 564' ' ' LEU . 47.0 mt -95.99 13.5 26.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.405 ' CG ' ' HG3' ' A' ' 606' ' ' ARG . 3.9 t60 -60.01 146.28 43.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.818 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.405 ' HG3' ' CG ' ' A' ' 605' ' ' HIS . 46.5 mtt180 55.56 47.47 20.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.414 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 17.0 mmtm -98.34 155.96 16.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -99.44 99.77 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.489 HD23 ' OD1' ' A' ' 610' ' ' ASN . 5.6 tt -98.04 106.03 18.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.489 ' OD1' HD23 ' A' ' 609' ' ' LEU . 4.8 m-20 63.63 34.58 12.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.57 86.46 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.1 mtt-85 -120.62 126.87 51.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.778 0.323 . . . . 0.0 110.863 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.94 140.63 58.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -121.88 139.67 53.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -118.08 118.32 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 50.3 t -103.05 130.86 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.172 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -117.06 120.27 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.71 100.35 8.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.47 174.71 4.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 66.7 p -82.75 165.72 19.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.161 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.8 tp -56.93 -50.55 72.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.985 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.87 -42.27 26.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.71 -50.77 61.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.438 ' HG2' HD22 ' A' ' 589' ' ' LEU . 0.9 OUTLIER -52.37 -53.05 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -50.71 -46.52 59.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -58.91 -62.56 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.662 HG23 ' HD3' ' A' ' 632' ' ' PRO . 76.5 mt -53.6 -35.24 25.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 23.7 tp10 -55.95 -57.84 10.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -57.65 -49.81 75.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -124.18 93.04 47.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.622 0.725 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.57 148.63 33.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.666 2.244 . . . . 0.0 112.375 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.662 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.6 Cg_exo -46.37 137.78 14.24 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -81.93 177.59 8.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.057 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -57.89 170.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 82.42 142.58 4.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -52.97 116.74 2.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.761 0.315 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.427 ' C ' ' HD3' ' A' ' 639' ' ' PRO . 8.4 m -89.88 138.72 31.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -116.88 70.61 0.28 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.429 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . 0.427 ' HD3' ' C ' ' A' ' 637' ' ' SER . 62.4 Cg_endo -78.75 36.86 0.62 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.712 2.274 . . . . 0.0 112.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 5.5 t -39.05 117.79 0.72 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.913 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 7.9 t -114.53 81.7 1.6 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.836 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.537 179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 531' ' ' SER . 8.6 t -142.78 108.53 5.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.901 0.381 . . . . 0.0 110.857 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 530' ' ' SER . 2.3 m -36.06 106.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -158.3 103.74 0.24 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.536 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 99.6 p -138.11 133.71 33.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 110.858 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 22.7 t -102.29 42.14 1.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 130.81 77.05 0.16 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -65.81 103.67 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 165.91 -100.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -53.69 172.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.09 83.93 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -107.1 -52.02 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 73.5 m -112.92 78.41 1.13 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.86 143.68 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -88.58 88.25 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 26.9 m -118.95 33.28 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 98.6 m -148.32 156.32 42.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -146.44 123.8 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.443 ' CD2' ' HG ' ' A' ' 589' ' ' LEU . 9.2 t-160 -93.35 131.77 38.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 21.9 mt -107.24 123.68 62.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 28.1 p -132.57 173.26 11.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.162 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 58.1 t30 66.22 47.16 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 5.9 pt -133.77 152.47 78.86 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.638 0.732 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.26 129.71 13.33 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.238 . . . . 0.0 112.358 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -89.99 29.15 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 93.6 p -117.66 -16.12 10.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 20.6 pt -81.85 165.57 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.14 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 40.9 p -124.78 171.95 9.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.2 ttpt -41.33 -48.46 3.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 9.4 tpt -47.57 -42.35 23.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.927 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -65.07 -47.7 76.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 50.6 t -56.8 -43.24 79.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.194 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 79.7 mt -53.26 -34.03 55.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.975 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -76.85 -46.23 25.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -54.12 -27.55 33.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 78.9 mt -101.85 28.42 5.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -51.98 145.11 10.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 99.76 -35.73 4.56 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.481 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 64.3 mt -84.94 116.56 65.93 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 111.099 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.95 83.23 2.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.706 2.271 . . . . 0.0 112.283 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.3 p -133.61 139.06 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.123 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.65 155.38 15.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.03 -9.86 58.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.805 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -84.58 -18.31 36.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.531 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -73.12 -15.45 61.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 590' ' ' VAL . 54.7 t -102.5 120.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.051 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.0 m170 -112.9 111.68 22.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.816 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 58.5 t -84.32 135.03 25.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.174 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.781 ' HB3' HD13 ' A' ' 585' ' ' LEU . 28.1 mt -74.71 138.84 43.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 31.3 m -148.99 161.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.201 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -118.0 174.99 5.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -45.18 -47.99 12.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -97.8 33.05 2.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.82 45.49 2.09 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -56.73 -54.33 47.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.885 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 98.17 68.6 0.93 Allowed Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.508 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.781 HD13 ' HB3' ' A' ' 577' ' ' LEU . 3.4 mp -40.56 -37.59 0.74 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.366 . . . . 0.0 110.914 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 103.76 42.34 1.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.715 ' HB2' HD12 ' A' ' 577' ' ' LEU . 55.8 mt-30 -149.14 157.53 43.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.774 0.321 . . . . 0.0 110.907 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -150.3 144.28 25.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.677 HD12 ' OE1' ' A' ' 628' ' ' GLU . 24.7 mt -105.33 149.32 26.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 574' ' ' VAL . 40.8 t -131.2 123.05 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.531 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 4.8 tt0 -106.26 132.77 51.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.497 ' CZ ' ' CG1' ' A' ' 590' ' ' VAL . 79.3 m-85 -120.42 151.45 39.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 36.7 mmtt -56.59 -53.95 51.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -142.02 170.82 14.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 46.7 mt-10 -50.13 -35.3 25.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -39.95 -39.2 0.81 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.476 ' HA ' ' CE ' ' A' ' 600' ' ' LYS . 3.1 m-20 -96.45 -25.73 15.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.843 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.577 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -63.28 -55.58 23.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -53.96 -19.13 4.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.476 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 34.6 mtmt -79.66 -39.38 31.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 9.2 p -68.31 -32.43 72.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.43 ' CD ' ' C ' ' A' ' 602' ' ' GLU . 1.0 OUTLIER -76.97 -26.53 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.61 -27.15 69.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.43 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 82.5 mt -82.03 10.12 7.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -56.15 146.8 22.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 62.8 mtm180 59.0 50.92 7.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.821 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.43 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 22.6 mmtt -104.82 165.96 10.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -105.34 111.74 24.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . . . . . . . . . 4.8 tt -113.68 114.29 26.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 61.34 26.93 16.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.13 19.42 62.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -133.99 122.79 23.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.794 0.33 . . . . 0.0 110.825 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -55.11 139.8 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -125.31 151.45 46.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.058 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -124.38 142.31 51.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.47 135.87 62.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.133 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -122.24 120.43 34.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.81 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 60.5 t -75.95 127.08 37.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.8 m -138.3 -178.34 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 39.9 p -91.29 175.56 6.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.49 HD13 ' C ' ' A' ' 621' ' ' LEU . 1.2 tm? -63.83 -59.55 4.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.993 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -48.26 -47.76 35.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.37 -33.95 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.521 ' HG3' HD22 ' A' ' 589' ' ' LEU . 9.1 ttp -68.87 -23.54 64.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . 0.421 ' HD2' ' CE ' ' A' ' 629' ' ' LYS . 0.0 OUTLIER -84.8 -58.85 2.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.463 ' HA ' ' CD ' ' A' ' 629' ' ' LYS . 17.7 pt-20 -42.65 -33.89 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.453 HG23 ' HD3' ' A' ' 632' ' ' PRO . 86.0 mt -76.77 -47.3 28.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.677 ' OE1' HD12 ' A' ' 589' ' ' LEU . 23.4 tp10 -60.95 -37.19 81.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 19.5 ptpt -69.65 -44.54 70.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.971 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.469 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 27.8 t-20 -132.52 82.3 57.43 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.635 0.731 . . . . 0.0 110.906 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -45.84 147.5 3.22 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.606 2.204 . . . . 0.0 112.406 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.453 ' HD3' HG23 ' A' ' 627' ' ' ILE . 72.8 Cg_exo -46.96 138.05 16.08 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.247 . . . . 0.0 112.359 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.52 61.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.068 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -154.29 123.09 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.34 -130.28 14.51 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.497 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 636' ' ' LYS . 0.0 OUTLIER -145.56 145.35 30.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.342 . . . . 0.0 110.891 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 47.1 t -54.06 -58.8 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.819 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 155.01 164.12 12.71 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -45.48 154.29 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.63 2.22 . . . . 0.0 112.383 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 32.2 t -147.25 144.23 28.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 t -119.31 -58.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.8 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 -179.946 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 4.2 m -160.44 165.18 31.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.899 0.381 . . . . 0.0 110.794 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 5.4 t -145.4 162.44 37.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.815 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -143.87 -94.95 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.429 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 534' ' ' SER . 44.7 p -151.52 166.09 32.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 533' ' ' SER . 11.5 p -34.68 130.76 0.38 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -128.32 -90.0 0.64 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -116.85 -60.54 1.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.93 0.395 . . . . 0.0 110.938 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -58.99 -98.51 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.476 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.49 129.97 43.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 64.1 t -127.4 99.96 5.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.124 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -133.73 136.08 44.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 13.9 m 48.39 50.55 16.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.17 122.14 33.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.494 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -66.52 97.58 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . 0.508 ' HA ' ' HB2' ' A' ' 598' ' ' ALA . 34.3 m -122.02 29.16 2.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 49.5 m -148.51 139.23 22.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.56 127.74 46.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.523 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.3 t-160 -100.86 133.66 45.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 16.1 mt -113.81 116.66 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.466 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 19.1 p -124.04 167.97 13.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.5 t-20 69.6 46.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 45.3 pt -126.46 143.55 46.53 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.659 0.742 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.73 131.87 16.44 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.72 2.28 . . . . 0.0 112.295 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -87.48 31.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 1.7 t -112.22 -31.79 6.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.405 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 8.1 pt -71.29 170.66 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 557' ' ' LYS . 71.0 p -125.63 165.18 19.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 556' ' ' THR . 16.8 ttpp -36.68 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 51.5 tpp -48.84 -47.11 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 7.5 m-20 -56.82 -48.73 77.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 59.1 t -56.21 -54.83 22.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 571' ' ' GLU . 54.4 mt -50.19 -32.79 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.27 -28.5 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -75.37 -27.12 59.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 590' ' ' VAL . 77.2 mt -93.68 18.86 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -55.94 135.65 52.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 104.54 -21.52 36.68 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.452 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.652 HG22 ' OD2' ' A' ' 597' ' ' ASP . 68.1 mt -105.58 103.78 45.01 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.629 0.728 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -46.41 109.53 0.21 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.329 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.4 p -162.16 135.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.135 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.96 157.12 34.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.511 ' HG2' HD13 ' A' ' 561' ' ' LEU . 59.5 mt-10 -62.53 -44.73 95.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . 0.401 ' C ' ' N ' ' A' ' 574' ' ' VAL . 12.3 m-20 -60.81 -35.33 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -45.31 -21.7 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 590' ' ' VAL . 97.5 t -101.31 119.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -109.95 103.33 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 92.1 t -79.45 135.3 25.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 587' ' ' GLN . 26.0 mt -74.64 158.73 33.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.3 m -148.27 153.38 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -116.35 -176.58 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -46.23 -42.37 14.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 -81.44 -19.94 41.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 100.72 -30.9 9.3 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.511 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -44.37 -42.44 6.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.6 177.99 33.93 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 2.7 mp -104.98 24.08 12.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.767 0.318 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 63.97 51.75 50.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.488 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.627 ' HB2' HD12 ' A' ' 577' ' ' LEU . 28.9 mt-30 -151.02 150.98 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 0.0 110.922 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -149.28 143.25 25.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.523 HD23 ' CD2' ' A' ' 547' ' ' HIS . 38.4 mt -108.38 151.3 26.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.92 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.48 HG22 HG22 ' A' ' 574' ' ' VAL . 30.1 t -134.74 134.24 54.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.544 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 28.7 tt0 -117.93 144.0 45.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -124.56 170.09 11.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -81.18 -40.02 24.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 594' ' ' ASN . 0.5 OUTLIER -144.97 159.81 42.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.815 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.536 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 54.4 mt-10 -54.46 -31.89 56.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -44.03 -37.69 3.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.652 ' OD2' HG22 ' A' ' 567' ' ' ILE . 2.4 t70 -96.48 -20.4 18.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.536 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -70.86 -56.15 6.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -52.52 -19.08 2.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.478 ' CE ' ' HA ' ' A' ' 597' ' ' ASP . 35.4 mtmt -76.37 -44.87 34.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 74.1 p -56.36 -28.91 60.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.6 ' HB3' HG21 ' A' ' 618' ' ' VAL . 0.1 OUTLIER -67.91 -30.68 70.07 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.958 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -61.79 -10.49 9.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.442 HD23 ' HE2' ' A' ' 607' ' ' LYS . 77.3 mt -101.22 18.04 20.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -65.47 151.82 45.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 70.4 mtm180 51.0 38.27 20.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.442 ' HE2' HD23 ' A' ' 604' ' ' LEU . 23.9 mmtm -82.66 171.03 14.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 33.7 mttp -114.8 100.42 8.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.492 HD23 ' C ' ' A' ' 609' ' ' LEU . 6.1 tt -101.82 112.34 24.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.438 ' HB2' HD23 ' A' ' 609' ' ' LEU . 29.2 t-20 61.93 27.61 16.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 85.54 15.19 66.56 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -123.33 132.97 54.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.817 0.341 . . . . 0.0 110.92 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -72.08 113.99 9.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -97.44 156.51 16.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -123.23 117.41 25.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 14.0 t -100.1 118.25 46.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.067 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -107.16 114.38 28.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.6 HG21 ' HB3' ' A' ' 602' ' ' GLU . 55.9 t -80.17 104.43 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.062 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.0 m -121.92 173.98 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 76.6 p -90.41 150.85 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.7 tp -41.51 -47.22 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -55.8 -48.39 75.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.36 -22.09 66.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -80.79 -47.43 13.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.74 -35.8 33.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.838 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -67.72 -44.33 77.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.465 HG23 ' HD3' ' A' ' 632' ' ' PRO . 64.7 mt -60.38 -35.4 62.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.48 -58.83 4.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.884 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -57.55 -40.26 78.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.944 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.58 105.0 5.41 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.57 0.7 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -74.58 148.13 36.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.465 ' HD3' HG23 ' A' ' 627' ' ' ILE . 73.0 Cg_exo -47.34 126.95 12.58 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.748 2.299 . . . . 0.0 112.293 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -135.28 107.41 7.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.091 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 46.03 45.71 12.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -138.11 -119.4 1.76 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.506 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 23.0 mmmt -142.37 177.24 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.74 0.305 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 23.2 p -76.04 -54.96 6.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 164.7 -146.1 10.98 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.43 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.81 134.02 16.05 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 78.3 p -79.19 95.2 5.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 6.4 t -156.09 154.32 30.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.46 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 41.9 t -106.78 103.93 13.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.845 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 89.1 p -101.15 167.75 10.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 152.95 171.82 20.68 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.573 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 3.5 m -77.15 143.0 39.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.344 . . . . 0.0 110.883 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 28.4 p -38.22 -48.99 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -117.53 113.82 2.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -53.79 -54.08 43.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.867 0.365 . . . . 0.0 110.938 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -114.12 141.62 17.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.63 -47.41 69.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.83 0.347 . . . . 0.0 110.872 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 540' ' ' ASN . 28.3 m -67.59 -48.46 76.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.534 ' N ' HG23 ' A' ' 539' ' ' VAL . 2.1 t-20 -40.01 -48.82 2.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 81.1 p -145.27 116.12 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -141.09 123.51 15.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.451 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 8.7 mptt -73.69 94.99 2.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 15.3 m -114.21 19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 1.9 m -135.0 150.39 50.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -140.91 126.93 19.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.694 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 9.2 t-160 -95.17 116.66 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 62.6 mt -92.88 117.9 37.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 71.6 p -121.98 174.47 6.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 67.45 31.56 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 27.9 pt -105.9 153.65 39.96 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.718 0.77 . . . . 0.0 111.088 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.18 139.52 21.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -86.84 27.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 39.0 m -105.88 -25.49 12.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 27.0 pt -81.23 179.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 46.9 p -128.88 176.43 7.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 26.7 ttpt -51.43 -43.34 61.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.917 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 561' ' ' LEU . 1.0 OUTLIER -53.99 -55.43 27.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -44.5 -50.5 9.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 563' ' ' PHE . 97.5 t -50.59 -60.12 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.442 HD21 ' HA ' ' A' ' 571' ' ' GLU . 32.1 mt -40.5 -28.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -78.03 -43.85 28.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 560' ' ' VAL . 38.2 t80 -54.84 -30.04 56.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 80.9 mt -88.56 20.1 3.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -41.48 120.19 1.39 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 116.25 -39.17 2.79 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.476 ' CG2' ' OD2' ' A' ' 597' ' ' ASP . 67.2 mt -86.5 110.93 35.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.654 0.74 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -74.11 101.87 1.46 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.697 2.265 . . . . 0.0 112.368 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 13.7 p -145.02 148.56 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.09 169.42 4.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.442 ' HA ' HD21 ' A' ' 561' ' ' LEU . 23.2 mt-10 -74.29 -52.46 12.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -46.25 -40.32 11.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.891 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.469 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -41.77 -35.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.103 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 67.0 t -86.59 124.03 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -117.38 114.79 24.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.3 t -90.67 131.52 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.173 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.725 HD12 ' HB2' ' A' ' 587' ' ' GLN . 83.4 mt -73.51 154.02 40.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 28.1 m -146.77 156.3 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -116.35 179.01 4.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 36.5 t-20 -46.84 -45.64 20.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -91.44 29.19 1.52 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 38.35 45.11 1.78 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -89.48 -49.77 6.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 95.04 122.67 3.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.469 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 586' ' ' GLY . 14.6 mt -81.84 42.38 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 37.25 55.6 1.53 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.725 ' HB2' HD12 ' A' ' 577' ' ' LEU . 74.7 mt-30 -152.5 147.93 26.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.768 0.318 . . . . 0.0 110.936 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -151.65 149.42 29.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.694 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.9 mt -112.1 129.55 56.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 16.3 t -106.5 126.69 62.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.469 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.8 tt0 -110.14 121.88 46.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -106.13 -178.44 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -91.25 -63.15 1.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.955 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -124.17 159.07 30.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 598' ' ' ALA . 24.3 mt-10 -50.19 -39.94 45.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -42.36 -28.73 0.22 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.476 ' OD2' ' CG2' ' A' ' 567' ' ' ILE . 4.7 t70 -96.83 -29.3 13.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.421 ' N ' ' O ' ' A' ' 595' ' ' GLU . . . -72.37 -53.04 13.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -29.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 62.6 mttt -67.38 -41.83 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 18.4 p -54.86 -38.41 67.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.569 ' CG ' HG21 ' A' ' 618' ' ' VAL . 61.8 mt-10 -60.86 -15.46 30.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -85.73 -23.28 27.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.45 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 61.6 mt -90.79 13.55 16.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -68.1 147.02 52.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 53.5 mtp180 57.1 38.78 29.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 1.2 mmpt? -85.38 -177.83 6.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -123.51 98.21 5.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.441 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.8 tt -100.64 112.24 24.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.413 ' N ' HD23 ' A' ' 609' ' ' LEU . 13.4 m-20 61.19 33.07 19.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 76.14 18.86 79.09 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 38.0 mtp180 -128.52 114.58 16.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.747 0.308 . . . . 0.0 110.847 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -50.18 127.8 17.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -114.13 146.25 40.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -117.57 126.02 51.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.28 109.33 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -106.52 107.92 19.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.569 HG21 ' CG ' ' A' ' 602' ' ' GLU . 85.0 t -73.43 139.82 18.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 17.9 m -152.97 161.18 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 61.8 p -67.6 158.71 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.147 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 15.0 tp -48.89 -59.09 3.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.931 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -37.26 -63.27 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -45.08 -47.2 11.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.819 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 589' ' ' LEU . 2.7 tmm? -58.39 -61.84 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 27.2 ttt180 -45.81 -46.88 15.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.839 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -55.22 -60.94 2.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.754 HG23 ' HD3' ' A' ' 632' ' ' PRO . 75.7 mt -48.58 -62.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -40.69 -48.4 2.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 28.4 mtpt -63.76 -55.65 21.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -123.86 71.74 51.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.548 0.689 . . . . 0.0 110.807 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . 0.426 ' N ' ' O ' ' A' ' 627' ' ' ILE . 72.7 Cg_exo -46.74 153.38 1.33 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.641 2.227 . . . . 0.0 112.375 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.754 ' HD3' HG23 ' A' ' 627' ' ' ILE . 61.4 Cg_endo -76.75 153.01 33.34 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.701 2.267 . . . . 0.0 112.354 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -99.59 -39.2 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.051 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -169.13 106.8 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.827 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -159.13 -154.98 7.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.445 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.439 ' HA ' ' CE ' ' A' ' 636' ' ' LYS . 0.1 OUTLIER 47.96 39.08 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.762 0.315 . . . . 0.0 110.891 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 73.7 m -103.97 43.53 1.08 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.804 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 156.5 94.33 0.1 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -76.64 9.58 2.56 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.708 2.272 . . . . 0.0 112.289 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 69.3 p -146.74 155.05 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.8 m -122.26 -55.6 1.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.567 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 5.3 t -99.08 103.91 15.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 4.4 m -62.87 -53.85 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 172.21 115.81 0.38 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.497 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 98.1 p -165.46 145.69 6.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.851 0.357 . . . . 0.0 110.859 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 89.2 p -155.36 144.99 21.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 173.05 103.28 0.16 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.517 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -106.6 80.87 1.51 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.928 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -146.67 -154.02 6.07 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.435 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -123.83 -35.53 2.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 25.3 m -95.49 34.1 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -127.8 -41.31 1.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.941 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.3 p -99.32 43.41 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -84.49 134.83 34.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.038 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -72.82 76.8 1.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.5 m -107.03 26.13 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.106 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 90.7 m -141.42 150.74 42.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -145.76 137.36 25.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.52 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.9 t-160 -105.03 146.41 29.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 15.3 mt -126.96 117.56 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.159 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.52 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 42.3 p -123.49 179.12 4.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 3.3 m120 62.93 45.87 5.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 7.1 pt -120.9 155.88 57.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.718 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.96 122.3 7.14 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -65.44 -5.39 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 37.4 m -68.69 -38.99 80.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.803 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 14.6 pt -78.16 163.24 3.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 557' ' ' LYS . 18.8 p -127.58 -178.64 4.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.555 ' HD2' HG23 ' A' ' 576' ' ' VAL . 7.2 tptm -38.25 -63.65 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 557' ' ' LYS . 10.0 tpt -35.2 -62.35 0.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.425 ' CB ' ' HB ' ' A' ' 555' ' ' ILE . 11.1 m-20 -48.44 -56.28 8.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 54.5 t -47.7 -44.64 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.194 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 81.4 mt -58.34 -34.88 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.929 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.62 -43.95 83.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.62 -39.12 90.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 45.1 mt -90.48 24.8 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -67.55 124.34 22.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.967 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 119.93 -30.58 5.63 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -91.04 110.82 44.83 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.719 . . . . 0.0 111.117 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.58 104.85 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.327 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.471 HG22 ' HB3' ' A' ' 573' ' ' ALA . 9.4 p -164.04 146.93 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -95.19 164.37 12.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.843 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -57.56 -55.4 35.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -47.58 -43.45 25.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.471 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -43.76 -35.44 1.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 590' ' ' VAL . 96.9 t -90.96 139.09 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.19 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.17 112.08 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . 0.555 HG23 ' HD2' ' A' ' 557' ' ' LYS . 97.2 t -79.2 137.69 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.08 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 587' ' ' GLN . 22.0 mt -85.35 167.43 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 16.4 m -148.86 158.52 6.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.22 -176.24 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -43.07 -47.59 5.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -76.22 -26.02 55.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 98.98 -31.54 8.1 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -40.26 -48.46 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.754 0.312 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 113.81 134.69 5.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.545 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 75.5 mt -78.48 -19.6 52.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.839 0.352 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 110.71 60.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.439 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.545 ' HB2' HD12 ' A' ' 577' ' ' LEU . 94.4 mt-30 -153.38 150.66 29.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.937 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -157.0 143.82 18.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 46.0 mt -106.21 161.18 14.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.437 HG22 HG22 ' A' ' 574' ' ' VAL . 19.2 t -142.18 125.25 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.143 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -110.33 110.09 20.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -94.53 164.22 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.427 ' HE3' ' N ' ' A' ' 593' ' ' LYS . 0.0 OUTLIER -80.27 -50.91 9.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -129.7 157.94 40.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -56.07 -28.37 57.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -48.76 -23.86 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -96.24 -46.11 6.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.83 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.58 -52.91 63.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.095 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 12.6 mtt85 -46.8 -23.47 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -88.93 -33.24 17.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 92.3 p -69.03 -35.3 76.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.801 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 5.0 pt-20 -67.49 -23.25 65.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.835 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -67.24 -19.01 65.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 69.8 mt -91.35 14.36 14.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 33.9 t60 -61.31 149.02 39.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 51.95 43.4 30.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -95.23 152.76 18.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 37.3 mtpt -91.8 100.13 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.0 tt -102.52 110.92 23.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.485 ' N ' HD23 ' A' ' 609' ' ' LEU . 20.3 m-20 59.14 30.11 19.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.3 22.88 59.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.8 mtt-85 -130.62 117.29 19.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.88 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -61.85 107.45 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -91.03 153.65 19.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.106 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -127.33 116.01 19.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 6.8 t -101.44 136.76 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -131.52 117.51 18.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 11.9 t -78.28 125.48 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 31.0 m -136.31 -176.21 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 26.9 p -91.05 174.78 7.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.178 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 14.8 tp -67.23 -39.51 86.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -59.2 -43.87 92.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.87 -38.04 89.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 8.7 ttp -64.77 -48.73 73.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 5.3 tpp85 -60.7 -30.59 70.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -72.13 -56.41 5.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.464 HG23 ' HD3' ' A' ' 632' ' ' PRO . 52.8 mt -57.78 -46.72 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.121 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -45.03 -51.16 10.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -65.86 -51.5 58.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -123.17 93.46 48.09 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.643 0.735 . . . . 0.0 110.912 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -75.92 156.08 38.86 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.679 2.253 . . . . 0.0 112.265 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.464 ' HD3' HG23 ' A' ' 627' ' ' ILE . 63.0 Cg_endo -77.41 168.16 23.31 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.258 . . . . 0.0 112.352 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -100.84 -51.54 3.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.112 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -95.72 -44.69 7.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 111.91 116.27 3.52 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -75.22 142.98 43.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.778 0.323 . . . . 0.0 110.928 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 4.8 p -67.23 -48.48 67.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 142.52 -162.76 27.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -77.13 99.68 1.33 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 58.0 p -39.24 140.31 0.44 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 25.4 p -98.06 151.08 20.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 28.9 t -110.85 157.79 19.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 46.7 t -85.65 148.51 25.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -167.39 50.93 0.24 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.531 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 57.7 m -98.24 141.34 31.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.865 0.364 . . . . 0.0 110.847 -179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.5 m -110.96 -50.57 2.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 147.37 57.17 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.463 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 151.65 19.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.921 0.391 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 143.43 174.05 15.42 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.492 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -146.21 132.89 19.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.875 0.369 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 86.5 t -47.54 -46.49 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -43.85 -55.87 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 15.6 m -107.73 90.15 3.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -110.22 152.32 26.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.075 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -86.04 104.13 15.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.12 29.38 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 57.2 m -142.75 154.48 44.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.67 129.48 20.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.607 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.6 t-160 -103.24 130.03 50.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 11.0 mt -107.48 118.04 54.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.607 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 29.2 p -123.13 178.29 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.174 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . 0.425 ' CG ' ' O ' ' A' ' 613' ' ' GLU . 62.5 t-20 64.51 37.16 8.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 28.7 pt -112.83 151.96 44.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.644 0.735 . . . . 0.0 111.151 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.11 137.55 21.63 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.731 2.287 . . . . 0.0 112.348 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -84.29 33.41 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 3.8 t -109.5 -35.26 6.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.828 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.457 ' HB ' ' CB ' ' A' ' 559' ' ' ASP . 20.1 pt -69.21 168.99 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 559' ' ' ASP . 32.8 p -115.54 155.3 27.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 556' ' ' THR . 0.6 OUTLIER -35.38 -43.22 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 10.7 mmt -57.2 -45.43 83.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.856 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 556' ' ' THR . 56.2 m-20 -53.23 -41.18 65.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 76.8 t -62.65 -58.92 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.222 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.502 HD23 HG21 ' A' ' 574' ' ' VAL . 79.8 mt -43.41 -31.56 0.7 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.969 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -71.62 -47.12 56.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.944 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -51.4 -26.22 7.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 54.5 mt -87.8 21.47 2.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -51.7 128.42 23.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 112.22 -39.76 2.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.457 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 97.5 mt -90.16 125.73 59.3 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.181 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -77.86 99.43 1.29 Allowed 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.691 2.26 . . . . 0.0 112.394 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.519 HG22 ' HB3' ' A' ' 573' ' ' ALA . 11.9 p -141.73 140.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.105 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -66.82 159.63 27.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.13 -42.86 83.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -60.77 -33.77 73.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -53.02 -26.36 15.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.149 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.502 HG21 HD23 ' A' ' 561' ' ' LEU . 86.4 t -93.72 117.05 36.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -109.53 109.14 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.825 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 87.6 t -91.46 139.89 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.697 HD12 ' HB2' ' A' ' 587' ' ' GLN . 73.7 mt -80.23 166.24 21.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.81 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 15.7 m -148.6 158.6 7.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.96 -176.11 2.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -45.92 -45.05 15.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -74.56 -24.51 58.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.94 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 91.67 -26.06 13.78 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -48.87 -42.26 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.821 0.343 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.77 161.16 11.23 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.473 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 585' ' ' LEU . 2.0 mp -107.5 -28.3 9.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.929 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.41 ' O ' ' CG ' ' A' ' 587' ' ' GLN . . . 119.95 52.45 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.697 ' HB2' HD12 ' A' ' 577' ' ' LEU . 44.4 mt-30 -159.08 136.49 9.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.976 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -144.96 143.01 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.492 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 56.2 mt -107.79 159.08 16.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 20.1 t -136.01 133.28 50.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.168 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -116.8 112.72 21.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.942 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 83.7 m-85 -97.01 161.74 13.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -87.26 -35.32 18.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -145.6 145.99 31.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -44.6 -32.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -40.52 -34.1 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -94.14 -40.79 9.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -58.51 -56.56 20.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.045 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.425 ' HB3' ' NH1' ' A' ' 599' ' ' ARG . 4.8 mmm180 -45.66 -22.67 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -93.26 -36.85 12.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.948 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 51.9 p -62.41 -19.97 63.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -7.62 55.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 35.5 ttt85 -80.67 -15.49 56.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.47 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 68.3 mt -89.85 10.7 22.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -62.09 146.1 51.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 61.58 33.09 18.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 29.0 mmtm -90.08 172.65 8.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -110.79 108.83 18.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.704 HD23 ' C ' ' A' ' 609' ' ' LEU . 3.5 tt -110.8 111.2 22.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.525 ' N ' HD23 ' A' ' 609' ' ' LEU . 50.8 t-20 61.31 29.9 18.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.69 66.45 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.414 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -133.93 124.53 26.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.7 0.286 . . . . 0.0 110.943 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . 0.425 ' O ' ' CG ' ' A' ' 550' ' ' ASN . 3.5 mp0 -62.6 125.89 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -112.39 148.88 33.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.064 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -115.17 134.95 54.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 94.0 t -115.41 120.08 63.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -108.69 123.9 49.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 73.0 t -86.93 112.33 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.079 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 30.4 m -127.4 172.92 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 68.7 p -75.92 -178.17 4.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.12 -60.97 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -47.17 -54.18 11.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -43.9 -25.34 0.19 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 10.4 tmm? -79.36 -41.59 27.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -64.92 -49.07 71.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 627' ' ' ILE . 6.3 pt-20 -53.08 -43.64 66.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.596 HG23 ' HD3' ' A' ' 632' ' ' PRO . 69.1 mt -69.23 -60.25 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 627' ' ' ILE . 17.5 tt0 -35.65 -45.86 0.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 56.1 mttt -66.16 -53.41 37.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.947 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 44.9 m-80 -123.94 84.12 54.82 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.643 0.735 . . . . 0.0 110.874 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.78 156.05 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.635 2.223 . . . . 0.0 112.357 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.596 ' HD3' HG23 ' A' ' 627' ' ' ILE . 61.7 Cg_endo -76.94 168.94 22.57 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.668 2.246 . . . . 0.0 112.342 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -103.47 -61.57 1.4 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -133.34 119.31 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 47.15 -171.54 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.517 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -124.89 106.37 9.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 56.8 p -90.0 137.18 32.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.804 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -48.77 147.13 5.54 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 640' ' ' SER . 71.4 Cg_exo -45.48 119.03 2.42 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.361 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 639' ' ' PRO . 55.8 m 37.67 54.32 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 58.7 m -114.16 110.25 19.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 13.5 m -74.91 -67.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.883 0.373 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 24.2 p 54.54 41.32 32.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 92.55 -146.49 18.18 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 6.9 t 66.48 35.89 5.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.88 0.372 . . . . 0.0 110.813 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 56.2 p -46.15 -55.03 7.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.02 -122.8 2.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.494 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -133.17 -41.65 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.863 0.363 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 129.24 -50.14 0.9 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -138.8 164.79 28.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 26.0 m -94.16 45.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.059 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -73.25 -50.21 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 69.5 m -103.94 78.36 1.53 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -100.76 129.3 46.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.05 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 3.1 mtmp? -72.77 101.29 3.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 30.7 m -129.32 38.44 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.188 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 35.1 m -147.89 146.3 28.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -135.01 131.63 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 -109.35 121.51 45.33 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.849 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 72.3 mt -99.7 114.86 39.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 82.1 p -119.43 165.7 14.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 68.26 45.06 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 614' ' ' ALA . 36.2 pt -127.99 146.5 59.43 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.597 0.713 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -45.41 138.99 9.88 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.732 2.288 . . . . 0.0 112.392 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -95.59 29.9 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 2.8 t -114.16 -29.57 6.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.7 pt -68.91 167.94 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.06 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 77.7 p -120.22 -177.85 3.53 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -54.53 -50.75 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 2.8 ttm -47.38 -50.58 22.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -51.73 -55.42 19.73 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.61 -50.01 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 62.9 mt -52.81 -30.64 34.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -74.82 -39.43 61.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.961 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -64.01 -22.75 67.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 38.0 mt -86.5 24.78 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -43.77 134.16 4.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.945 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 94.61 -27.88 12.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.554 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 94.3 mt -93.49 109.28 39.64 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.596 0.712 . . . . 0.0 111.134 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -77.05 97.28 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.638 2.225 . . . . 0.0 112.416 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 9.6 p -139.11 144.78 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -54.29 -175.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -96.01 -42.32 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.2 -34.81 78.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.655 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -43.37 -37.3 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 94.9 t -81.1 137.66 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -126.1 103.75 7.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 97.3 t -83.69 127.93 39.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.106 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.817 HD12 ' HB2' ' A' ' 587' ' ' GLN . 30.0 mt -73.11 154.99 40.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.953 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 27.2 m -146.48 153.94 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 582' ' ' GLY . 0.9 OUTLIER -115.14 -176.41 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.858 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -45.34 -45.31 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -75.98 -21.25 57.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 101.97 -42.86 1.81 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -40.53 -39.14 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 110.844 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 94.57 176.87 38.58 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.657 HD13 ' OE1' ' A' ' 634' ' ' GLN . 16.4 mt -92.67 -29.29 16.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.854 0.359 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 121.6 36.81 0.71 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.518 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.817 ' HB2' HD12 ' A' ' 577' ' ' LEU . 59.3 mt-30 -137.65 152.13 49.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.97 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -152.46 149.82 28.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.063 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . . . . . . . . . 49.4 mt -109.38 159.75 16.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.426 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 76.5 t -140.07 107.03 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.655 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 24.1 tt0 -91.94 117.48 29.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.453 ' CD1' ' HB3' ' A' ' 597' ' ' ASP . 77.1 m-85 -100.47 177.44 5.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -92.59 -51.51 5.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -134.94 160.93 36.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.449 ' O ' ' N ' ' A' ' 597' ' ' ASP . 20.7 mt-10 -47.8 -43.2 27.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -40.44 -26.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . 0.453 ' HB3' ' CD1' ' A' ' 592' ' ' PHE . 1.0 OUTLIER -96.35 -43.53 7.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -61.95 -51.98 65.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 4.0 mtp85 -45.33 -41.02 8.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -60.34 -38.36 83.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.1 p -57.65 -36.4 71.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.509 ' HG3' HG21 ' A' ' 618' ' ' VAL . 54.1 mt-10 -62.49 -26.85 68.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 9.3 tpm_? -69.16 -31.27 69.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 98.3 mt -83.76 15.74 3.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.499 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 14.4 t60 -64.9 149.88 48.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.822 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.499 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 56.9 mtt180 48.05 45.35 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -90.52 172.42 8.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -115.03 101.96 9.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.978 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.504 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.2 tt -101.01 107.57 19.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 62.34 27.88 16.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.896 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 87.72 14.72 62.73 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.535 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 7.4 mmp_? -121.59 125.59 47.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.777 0.322 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -70.48 115.52 9.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . 0.419 ' HB2' HG22 ' A' ' 551' ' ' ILE . . . -107.21 156.36 18.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -126.37 130.92 51.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 47.9 t -103.8 134.44 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -127.74 111.2 13.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.509 HG21 ' HG3' ' A' ' 602' ' ' GLU . 43.1 t -81.32 113.41 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.4 m -120.19 177.1 3.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.146 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 621' ' ' LEU . 35.1 p -87.19 144.25 26.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 620' ' ' THR . 4.5 tp -36.87 -56.28 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -46.86 -59.18 3.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -52.15 -44.83 64.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -56.98 14.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 19.3 ttp180 -47.57 -42.3 23.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.831 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.31 -43.65 92.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 628' ' ' GLU . 91.3 mt -63.27 -61.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 627' ' ' ILE . 35.5 tt0 -35.46 -45.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -77.02 -55.54 5.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -127.82 93.28 40.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.878 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.5 163.26 34.56 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -76.78 159.29 34.96 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.675 2.25 . . . . 0.0 112.284 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -61.15 131.46 50.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.104 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . 0.657 ' OE1' HD13 ' A' ' 585' ' ' LEU . 2.8 mp0 -42.98 148.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 59.72 -128.48 46.74 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.499 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 52.6 tttt -130.81 118.67 21.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 1.6 t -138.61 142.58 39.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.77 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . 100.27 -146.3 17.64 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.428 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.66 119.5 2.79 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.688 2.258 . . . . 0.0 112.303 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 11.2 m -108.76 133.34 52.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.6 m -86.7 -53.11 5.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 179.951 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 34.5 p -161.91 123.88 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.945 0.403 . . . . 0.0 110.812 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.1 p -62.48 161.47 11.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 533' ' ' SER . . . 129.13 -123.53 4.24 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 532' ' ' GLY . 37.7 m 34.57 53.28 0.6 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.826 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 72.5 p -145.89 146.34 31.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . 136.91 54.95 0.06 OUTLIER Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.438 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -105.1 153.05 22.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -143.89 99.37 0.22 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.535 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.84 118.13 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.1 -50.08 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -39.76 -51.42 2.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 58.4 m -120.96 101.28 7.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -105.07 150.21 25.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.149 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 19.7 mttp -89.21 92.44 9.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.22 40.99 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.084 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 17.2 m -146.85 149.7 33.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.49 12.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.447 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 10.1 t-80 -95.49 125.0 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 64.2 mt -102.03 115.69 44.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.099 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 57.0 p -120.41 167.94 11.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 70.97 36.85 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 20.2 pt -110.94 153.95 43.58 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.634 0.731 . . . . 0.0 111.071 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -73.52 137.24 25.0 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.724 2.283 . . . . 0.0 112.372 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.6 p90 -85.8 35.38 0.62 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 79.3 p -114.74 -27.33 7.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 29.4 pt -77.09 175.34 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 557' ' ' LYS . 81.9 p -128.45 162.95 25.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 556' ' ' THR . 14.4 ttpt -37.74 -45.56 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 21.4 mmt -52.31 -52.07 55.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.896 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.43 -50.34 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.64 -57.66 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . . . . . . . . . 34.7 mt -43.84 -40.29 4.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 13.5 tp60 -67.2 -47.78 69.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.959 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 563' ' ' PHE . 3.0 t80 -51.76 -23.93 5.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 66.5 mt -91.93 25.87 2.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -45.47 125.24 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 111.95 -36.12 4.33 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.443 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 89.1 mt -97.16 108.68 45.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.623 0.725 . . . . 0.0 111.089 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.41 98.39 1.2 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 8.4 p -133.0 141.71 44.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.162 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -61.45 161.85 8.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -67.41 -55.08 15.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -47.14 -32.0 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -50.59 -35.76 31.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.122 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 95.7 t -89.98 129.05 41.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -115.99 103.95 11.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 95.9 t -82.25 133.78 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.594 HD12 ' HB2' ' A' ' 587' ' ' GLN . 61.6 mt -74.56 163.73 27.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.1 m -148.98 160.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.116 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.4 -175.96 2.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -50.63 -46.89 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -89.01 23.4 2.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . . . . . . . . . . . 40.3 49.56 3.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.503 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -95.69 -49.78 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 121.5 121.74 2.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.49 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 585' ' ' LEU . 5.0 mp -82.92 37.94 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.825 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 38.98 39.4 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.594 ' HB2' HD12 ' A' ' 577' ' ' LEU . 58.6 mt-30 -146.59 134.19 20.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.81 0.338 . . . . 0.0 110.883 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -141.41 151.28 43.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.077 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.901 HD13 ' CG ' ' A' ' 624' ' ' MET . 44.9 mt -106.66 161.33 14.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 58.2 t -136.84 113.48 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.11 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.519 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 16.0 tt0 -100.3 121.3 41.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 601' ' ' SER . 58.6 m-85 -102.17 155.52 18.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 34.5 pttt -85.43 -17.91 35.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -153.68 166.23 33.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 42.9 mp0 -67.18 -36.08 81.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -44.8 -26.23 0.38 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -94.17 -34.49 12.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -69.26 -55.31 10.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -49.58 -20.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 55.2 mtpt -93.25 -46.34 7.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 592' ' ' PHE . 8.1 p -53.34 -34.23 56.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.832 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.461 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 12.8 pt-20 -70.8 -30.85 67.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 39.7 ttt180 -62.3 -24.13 67.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.413 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 43.2 mt -83.18 14.25 3.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 61.2 t60 -63.4 145.0 56.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.844 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 60.55 45.25 10.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 21.4 mmmt -95.29 165.95 12.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 27.4 mttm -105.7 102.69 12.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.536 HD23 ' C ' ' A' ' 609' ' ' LEU . 5.5 tt -102.54 106.77 17.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 63.4 m-20 61.6 25.4 15.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.2 19.13 54.05 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.509 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 31.7 mtt180 -128.9 117.8 21.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.353 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -59.4 119.6 7.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.17 151.23 25.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -121.54 128.96 52.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 59.2 t -112.06 124.75 69.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -113.74 131.76 56.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 47.8 t -90.2 109.97 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 33.3 m -122.42 176.57 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.073 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 23.1 p -90.77 158.21 16.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 25.0 tp -48.88 -48.6 42.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -52.43 -41.79 63.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -52.1 64.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.901 ' CG ' HD13 ' A' ' 589' ' ' LEU . 7.8 ttp -50.0 -48.43 52.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.04 -48.95 72.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -58.79 -34.08 71.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.632 HG23 ' HD3' ' A' ' 632' ' ' PRO . 72.4 mt -73.42 -40.03 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -53.0 47.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 12.4 ptpt -55.09 -39.43 69.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.473 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 44.2 t30 -155.11 104.95 2.26 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 110.901 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -44.21 157.21 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.632 ' HD3' HG23 ' A' ' 627' ' ' ILE . 71.3 Cg_exo -45.13 131.2 11.09 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.62 112.91 1.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -94.85 113.4 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -169.25 -61.24 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.465 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.78 152.57 46.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.753 0.311 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 37.7 p -89.16 154.85 19.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -106.47 -96.11 2.44 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -79.96 31.08 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 1.1 t -92.33 -52.38 4.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 3.9 m -65.62 87.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.829 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.47 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 54.7 p -124.58 128.01 48.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.879 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 37.8 p -61.91 155.34 23.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . 125.26 -157.49 19.45 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.49 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.2 t -113.63 161.32 17.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 65.6 p -49.24 140.47 9.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -90.42 -74.55 1.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -90.69 159.97 16.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.916 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 146.05 -87.75 0.16 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.26 144.37 49.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 539' ' ' VAL . 9.1 p -108.19 38.35 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.167 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.14 -46.45 84.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.816 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 28.1 m -121.06 91.4 3.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -99.63 123.51 43.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.047 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.615 ' HG2' HG12 ' A' ' 618' ' ' VAL . 0.0 OUTLIER -72.4 97.04 1.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 25.8 m -116.59 34.82 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 58.4 m -149.11 138.17 21.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -130.65 120.35 23.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.401 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 14.4 t-160 -95.52 132.23 40.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.6 mt -109.65 124.23 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.619 HG22 ' OE1' ' A' ' 587' ' ' GLN . 67.5 p -126.36 169.69 12.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 70.74 32.21 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 38.8 pt -107.69 152.84 41.66 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.693 0.759 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.15 134.89 18.11 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.26 . . . . 0.0 112.305 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -77.15 7.26 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.815 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 70.9 p -84.26 -27.47 27.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.418 HG21 ' ND2' ' A' ' 610' ' ' ASN . 24.4 pt -87.14 170.46 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 559' ' ' ASP . 21.3 p -127.99 166.2 18.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -38.52 -48.99 1.47 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 12.8 mmt -48.21 -42.41 30.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . 0.405 ' N ' ' O ' ' A' ' 556' ' ' THR . 1.3 m-20 -63.54 -46.37 86.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 85.4 t -58.59 -53.41 47.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 574' ' ' VAL . 78.6 mt -44.71 -31.42 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -80.13 -40.85 26.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -54.98 -26.89 39.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 92.9 mt -94.99 24.82 4.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -41.72 133.6 2.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 109.03 -38.61 3.25 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.508 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 592' ' ' PHE . 89.7 mt -83.25 111.85 34.22 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.586 0.707 . . . . 0.0 111.171 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -74.57 83.26 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.709 2.273 . . . . 0.0 112.364 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 11.6 p -126.66 151.2 33.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.26 175.97 0.5 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.29 -35.08 17.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -70.05 -38.26 75.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.643 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -38.93 -37.12 0.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.441 HG21 HD23 ' A' ' 561' ' ' LEU . 53.8 t -85.74 122.66 38.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -114.47 104.41 12.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 65.4 t -78.04 148.65 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.49 149.61 21.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . 0.445 ' HA ' ' CA ' ' A' ' 584' ' ' GLY . 30.4 m -142.19 152.06 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.118 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 582' ' ' GLY . 7.2 t70 -116.9 178.31 4.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 30.3 t30 -41.9 -37.82 1.4 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -84.45 -25.57 28.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 104.81 -25.59 25.03 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.503 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -58.26 -14.37 7.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . 0.445 ' CA ' ' HA ' ' A' ' 578' ' ' VAL . . . 58.21 170.79 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.534 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.768 HD13 ' O ' ' A' ' 632' ' ' PRO . 7.5 mt -87.09 41.47 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.88 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 44.2 57.6 4.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.427 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.619 ' OE1' HG22 ' A' ' 549' ' ' THR . 33.6 mt-30 -150.2 162.2 40.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.853 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -159.97 143.13 13.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.572 HD22 ' HG3' ' A' ' 624' ' ' MET . 32.3 mt -106.19 152.79 23.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.7 124.65 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.171 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.643 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 19.6 tt0 -110.16 121.45 45.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 567' ' ' ILE . 76.5 m-85 -105.18 178.28 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.838 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 9.0 mmmm -97.46 -27.37 14.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.967 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -156.18 171.8 19.54 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 598' ' ' ALA . 44.3 mt-10 -62.33 -39.16 92.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -41.16 -33.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -95.27 -37.01 11.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.413 ' HB3' ' HA ' ' A' ' 595' ' ' GLU . . . -61.34 -60.29 3.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 598' ' ' ALA . 12.8 mmm180 -37.53 -57.09 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -39.47 -49.87 2.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.957 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 25.0 p -43.51 -46.47 6.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.529 ' OE2' HG21 ' A' ' 618' ' ' VAL . 47.3 mt-10 -56.49 -34.89 67.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -59.09 -20.53 54.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.0 mt -102.22 14.23 32.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.951 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -64.4 142.1 58.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.825 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 60.21 37.65 20.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -83.5 -178.31 7.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.842 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 53.7 mttt -125.74 99.82 6.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.556 HD23 ' N ' ' A' ' 610' ' ' ASN . 0.6 OUTLIER -103.08 115.54 30.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.556 ' N ' HD23 ' A' ' 609' ' ' LEU . 77.8 m-20 61.62 27.32 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.873 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 82.1 16.0 73.21 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -126.11 120.88 31.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -53.13 121.51 7.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -107.87 120.09 41.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -94.97 127.32 40.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 46.5 t -112.95 110.21 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.176 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -103.48 141.69 35.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.615 HG12 ' HG2' ' A' ' 543' ' ' LYS . 88.9 t -98.37 123.62 51.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 27.7 m -136.51 172.23 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 81.0 p -96.93 150.38 20.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.207 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 11.5 tp -38.19 -57.34 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -47.34 -41.57 19.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -73.14 -42.39 62.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.572 ' HG3' HD22 ' A' ' 589' ' ' LEU . 4.2 ttt -59.96 -38.86 83.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -64.01 -41.42 97.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.814 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -65.85 -26.23 67.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.462 HD12 ' HA ' ' A' ' 624' ' ' MET . 86.6 mt -74.9 -38.73 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.082 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -69.73 -51.43 34.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . 0.467 ' HG3' ' N ' ' A' ' 630' ' ' ASN . 7.6 ptmm? -57.55 -45.9 84.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.961 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . 0.467 ' N ' ' HG3' ' A' ' 629' ' ' LYS . 4.6 t-20 -128.07 83.18 66.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.646 0.736 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.85 148.55 28.45 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.768 ' O ' HD13 ' A' ' 585' ' ' LEU . 62.4 Cg_endo -76.91 161.4 33.17 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.717 2.278 . . . . 0.0 112.37 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -88.43 -56.86 3.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.15 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -138.31 157.85 45.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -157.47 81.11 0.16 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.457 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 28.8 mmtt -111.39 103.59 11.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 60.4 p -165.2 173.87 10.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.842 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -83.04 138.74 18.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.492 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -46.97 -24.7 3.37 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.735 2.29 . . . . 0.0 112.304 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 54.3 p -90.17 156.5 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 5.1 t -109.91 -58.75 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.436 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 530' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 529' ' ' GLY . 13.8 t 36.18 42.17 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.82 0.343 . . . . 0.0 110.84 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 18.6 m -105.47 83.32 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -119.62 -102.32 1.97 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.452 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 80.5 p -169.79 164.59 9.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 74.2 m -135.36 169.47 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.49 -164.8 10.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.548 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -121.78 -54.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.838 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . 151.43 170.96 18.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -108.06 150.33 27.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.876 0.369 . . . . 0.0 110.822 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 16.9 m -84.35 -7.66 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.102 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -89.36 -45.46 9.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 71.7 p -130.65 90.94 2.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -95.44 156.21 16.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.084 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.422 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 9.9 mtmm -96.91 85.16 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.9 m -117.72 29.54 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 62.1 m -140.03 139.11 35.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -125.66 131.43 52.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.632 ' CD2' ' CD2' ' A' ' 589' ' ' LEU . 12.2 t-80 -107.02 124.2 49.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 20.2 mt -100.89 128.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.418 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 64.2 p -132.5 172.96 11.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 38.6 t-20 65.57 40.72 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.827 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 33.7 pt -116.77 152.44 48.48 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.634 0.73 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.32 121.99 7.21 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -68.21 -2.54 8.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 89.8 p -67.94 -27.32 66.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.826 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . 0.43 HD13 HD21 ' A' ' 609' ' ' LEU . 18.5 pt -88.59 173.17 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 34.6 p -129.01 176.95 7.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -46.02 -49.38 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.522 ' HA ' HD12 ' A' ' 561' ' ' LEU . 0.0 OUTLIER -46.84 -49.41 20.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -57.25 -52.05 66.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . 0.407 ' O ' ' C ' ' A' ' 561' ' ' LEU . 86.9 t -52.97 -56.56 7.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 558' ' ' MET . 68.8 mt -37.2 -40.06 0.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 565' ' ' GLU . 7.6 tt0 -71.68 -54.26 10.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -43.36 -28.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.44 28.84 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 562' ' ' GLN . 8.6 tp10 -57.24 119.38 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 125.4 -45.74 1.14 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.459 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.6 mt -78.96 123.96 84.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.657 0.741 . . . . 0.0 111.068 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -77.65 82.91 2.28 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 0.0 112.303 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.448 HG22 ' HB3' ' A' ' 573' ' ' ALA . 14.3 p -134.67 143.74 36.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.086 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -75.78 161.52 28.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -66.56 -39.79 88.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -55.3 -22.09 17.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.448 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -85.65 14.88 5.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.116 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 86.5 t -119.35 94.31 2.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.061 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -84.72 111.86 19.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 85.3 t -101.37 124.64 55.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.098 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.559 HD12 ' HB2' ' A' ' 587' ' ' GLN . 40.2 mt -67.64 154.33 41.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 32.0 m -145.37 156.7 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.431 ' OD1' ' C ' ' A' ' 579' ' ' ASP . 0.6 OUTLIER -117.21 -177.17 3.15 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -46.71 -44.29 18.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.439 ' O ' ' C ' ' A' ' 582' ' ' GLY . 2.2 m120 -93.84 31.05 1.67 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.845 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.8 46.75 0.63 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -95.96 -43.1 7.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.93 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 97.69 126.46 5.43 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 586' ' ' GLY . 58.6 mt -84.32 46.16 1.19 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.876 0.369 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 585' ' ' LEU . . . 38.37 58.13 1.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.481 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.559 ' HB2' HD12 ' A' ' 577' ' ' LEU . 57.9 mt-30 -159.72 132.36 6.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.836 0.35 . . . . 0.0 110.812 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.33 147.14 31.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 547' ' ' HIS . 32.8 mt -110.4 144.23 39.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 80.0 t -124.67 126.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.144 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -105.5 137.25 43.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -120.84 163.1 18.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 33.8 mttp -77.93 -47.69 18.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -139.43 159.05 43.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -51.63 -22.2 3.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.817 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.55 -33.21 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -95.59 -30.85 13.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 600' ' ' LYS . . . -66.28 -56.13 12.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.069 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -44.49 -22.65 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.809 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . 0.402 ' N ' ' C ' ' A' ' 598' ' ' ALA . 12.6 mtpp -80.82 -52.79 7.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 5.7 p -52.31 -39.19 60.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 8.7 pt-20 -66.29 -24.82 66.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -70.47 -12.39 61.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 87.2 mt -98.09 14.48 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.493 ' CD2' ' HG3' ' A' ' 606' ' ' ARG . 16.4 t60 -62.18 142.12 57.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.493 ' HG3' ' CD2' ' A' ' 605' ' ' HIS . 26.0 mtm105 64.34 36.46 9.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 31.4 mmtt -88.0 168.38 12.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -113.26 113.03 24.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.605 HD23 ' C ' ' A' ' 609' ' ' LEU . 7.5 tt -113.59 113.99 25.84 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.47 ' HB2' HD23 ' A' ' 609' ' ' LEU . 3.0 m-20 56.2 38.77 30.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.948 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 73.23 25.42 73.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.48 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -135.13 111.67 9.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.773 0.32 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.21 124.64 21.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -111.16 156.15 21.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -121.68 120.77 35.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.809 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 45.5 t -105.06 113.26 41.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -106.44 128.07 53.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 86.6 t -85.14 127.62 39.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 28.5 m -142.43 159.13 19.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.061 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 42.8 p -68.98 150.78 47.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.204 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 39.9 tp -45.34 -48.43 13.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -47.03 -47.19 22.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -58.13 -47.74 82.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 5.5 ttp -55.21 -46.13 75.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 9.7 ttt85 -56.61 -44.16 80.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -61.3 -57.9 10.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 77.3 mt -45.55 -59.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -37.26 -49.89 0.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 33.3 mtmt -71.2 -49.5 42.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -123.12 89.69 50.7 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.588 0.709 . . . . 0.0 110.835 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.67 149.37 30.02 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.753 2.302 . . . . 0.0 112.409 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.1 176.82 9.64 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -111.97 -46.61 3.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -116.62 143.03 46.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -107.02 92.34 0.77 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.529 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.27 95.87 2.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.733 0.302 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 71.0 m -88.46 156.66 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -153.96 163.38 30.91 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -76.55 90.57 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.76 2.307 . . . . 0.0 112.351 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 28.0 p -126.04 162.72 24.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 32.1 t -97.88 130.36 44.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.832 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.437 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 36.7 p -146.49 165.57 29.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.825 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . . . . . . . . . 20.0 m -45.48 144.61 1.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . . . . . . . . . . . -150.54 -74.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 86.6 p -153.97 142.55 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.943 0.401 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 40.6 m -135.53 131.71 36.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.894 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -153.53 -138.55 2.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -121.81 -55.19 1.91 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.852 0.358 . . . . 0.0 110.862 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -148.82 83.02 0.18 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -159.33 129.91 5.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.853 0.359 . . . . 0.0 110.847 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . . . . . . . . . 67.4 t -94.83 103.5 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -111.98 -48.61 3.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 8.6 t -119.51 79.76 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -91.59 149.17 21.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -85.48 99.88 11.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 34.1 m -126.38 39.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 55.8 m -152.96 154.84 35.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -144.29 123.13 12.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.637 ' CE1' ' CG2' ' A' ' 549' ' ' THR . 11.7 t-160 -96.91 121.45 38.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 61.2 mt -96.66 117.71 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . 0.637 ' CG2' ' CE1' ' A' ' 547' ' ' HIS . 75.2 p -125.72 164.67 20.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 67.13 44.96 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 12.1 pt -120.77 143.76 37.31 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.683 0.754 . . . . 0.0 111.128 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -45.42 132.06 12.26 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.75 2.3 . . . . 0.0 112.316 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -88.51 31.27 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 31.6 m -118.34 -27.6 5.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 22.6 pt -75.41 167.42 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 82.1 p -120.01 162.85 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . 0.469 ' HD3' HD11 ' A' ' 561' ' ' LEU . 0.7 OUTLIER -39.15 -49.32 1.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . 0.457 ' N ' ' HD2' ' A' ' 557' ' ' LYS . 36.9 tpp -47.7 -50.24 25.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.881 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -53.64 -46.76 70.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 75.5 t -55.36 -47.2 78.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.469 HD11 ' HD3' ' A' ' 557' ' ' LYS . 97.1 mt -51.17 -32.89 24.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -75.91 -41.49 51.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -56.62 -29.81 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 49.3 mt -93.66 25.57 3.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -42.99 124.21 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 117.2 -38.16 3.08 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 65.3 mt -87.57 112.04 45.79 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.613 0.721 . . . . 0.0 111.122 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.98 88.51 1.08 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.395 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 573' ' ' ALA . 12.1 p -124.79 138.38 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.177 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -65.23 169.34 5.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . . . . . . . . . 15.9 mp0 -68.57 -57.15 6.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . 0.476 ' O ' ' CD2' ' A' ' 575' ' ' HIS . 9.7 m-20 -47.19 -45.56 23.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.536 ' HB3' HG22 ' A' ' 569' ' ' VAL . . . -41.45 -30.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . 0.417 HG22 HG22 ' A' ' 590' ' ' VAL . 71.8 t -94.79 116.07 35.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 572' ' ' ASN . 8.8 m170 -109.87 104.75 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -82.68 135.73 24.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' A' ' 587' ' ' GLN . 28.0 mt -76.79 141.5 40.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 35.8 m -148.52 159.15 6.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.155 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -117.01 177.27 4.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -44.88 -49.32 11.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . 0.449 ' O ' ' C ' ' A' ' 582' ' ' GLY . 5.1 t-20 -92.55 32.32 1.23 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 581' ' ' ASN . . . 34.57 42.04 0.28 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.511 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -70.62 -45.23 65.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.824 0.345 . . . . 0.0 110.958 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 88.63 114.44 1.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 96.7 mt -84.21 25.24 0.86 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.328 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 50.3 44.97 44.68 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.42 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.453 ' HG2' HG22 ' A' ' 549' ' ' THR . 50.6 mt-30 -145.33 151.31 38.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.329 . . . . 0.0 110.961 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -156.42 150.75 25.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.06 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.602 HD13 ' HG2' ' A' ' 624' ' ' MET . 66.3 mt -110.95 156.84 20.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . 0.594 HG11 ' CZ ' ' A' ' 592' ' ' PHE . 90.5 t -138.69 119.15 15.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -104.8 125.99 51.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.594 ' CZ ' HG11 ' A' ' 590' ' ' VAL . 56.8 m-85 -111.49 163.02 14.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -67.75 -59.96 2.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -135.3 165.34 25.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -49.66 -32.07 12.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.81 -31.7 1.31 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -95.35 -35.89 11.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -62.0 -54.88 35.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 15.1 mmt180 -46.39 -21.48 0.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 43.4 mttt -88.12 -38.31 15.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . . . . . . . . . 13.7 p -70.69 -14.54 62.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -91.9 -22.5 20.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 31.6 ttp85 -67.14 -17.91 65.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . 0.42 ' O ' ' CG ' ' A' ' 607' ' ' LYS . 90.8 mt -94.14 8.58 41.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . 0.403 ' NE2' ' HG3' ' A' ' 606' ' ' ARG . 78.1 t60 -53.14 149.72 6.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . 0.403 ' HG3' ' NE2' ' A' ' 605' ' ' HIS . 78.7 mtt180 52.91 53.79 11.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.804 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 604' ' ' LEU . 26.4 mmtt -109.36 160.1 16.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -97.22 116.45 29.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.935 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.555 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.6 tt -116.1 114.34 24.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . 0.493 ' N ' HD23 ' A' ' 609' ' ' LEU . 25.1 t-20 60.21 25.05 14.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 83.6 22.59 55.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 13.3 mtt85 -135.74 111.92 9.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -41.49 141.83 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -130.31 144.12 51.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -123.32 128.63 50.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 23.6 t -112.61 116.86 53.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -102.33 127.71 49.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . . . . . . . . . 97.9 t -94.96 111.4 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.132 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 34.8 m -127.38 179.03 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 50.0 p -91.1 146.15 24.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . . . . . . . . . 5.4 tp -37.9 -57.81 0.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -42.58 -51.42 5.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -60.19 -41.24 92.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . 0.602 ' HG2' HD13 ' A' ' 589' ' ' LEU . 5.6 ttp -60.69 -41.27 94.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -61.26 -39.58 90.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -63.9 -44.25 93.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . . . . . . . . . 88.0 mt -62.33 -49.27 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.047 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.3 -42.86 7.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -61.0 -46.61 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -155.55 104.98 2.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -73.76 155.83 48.87 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.672 2.248 . . . . 0.0 112.383 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.75 147.4 27.61 Favored 'Trans proline' 0 C--N 1.34 0.129 0 C-N-CA 122.644 2.229 . . . . 0.0 112.309 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -56.82 -58.03 9.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 55.95 34.93 24.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . -133.37 -103.86 0.85 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.448 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -78.66 -53.68 6.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.817 0.342 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . . . . . . . . . 3.5 t -108.71 125.14 51.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -126.79 -169.1 12.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.424 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -76.99 41.11 0.88 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.641 2.227 . . . . 0.0 112.395 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 641' ' ' SER . 35.6 p -173.63 171.3 3.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 640' ' ' SER . 4.5 t -37.25 118.58 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.841 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.575 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 529' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 530' ' ' SER . . . . . . . . . . . . . 2.4 m -87.08 115.65 24.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 531' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 532' ' ' GLY . 42.6 m -66.03 -46.72 76.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 532' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 531' ' ' SER . . . 37.27 38.83 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.553 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 533' ' ' SER . . . . . . . . . . . . . 17.8 t -83.09 107.53 15.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.882 0.373 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 534' ' ' SER . . . . . . . . . . . . . 39.6 m -133.06 109.63 9.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.908 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 535' ' ' GLY . . . . . . . . . . . . . . . -139.72 -70.34 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.515 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 536' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 536' ' ' GLU . 7.0 pt-20 -117.98 111.71 19.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.912 0.387 . . . . 0.0 110.928 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 537' ' ' GLY . . . . . . . . . . . . . . . -127.3 -105.75 1.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.443 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 538' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 42.8 54.72 4.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 539' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 540' ' ' ASN . 16.8 t -48.27 -60.55 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 540' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 540' ' ' ASN . 0.6 OUTLIER -34.76 -71.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 541' ' ' SER . . . . . . . . . . . . . 65.4 m -134.1 86.86 2.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 542' ' ' ALA . . . . . . . . . . . . . . . -81.03 134.15 35.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 543' ' ' LYS . . . . . 0.412 ' HB3' ' CG1' ' A' ' 618' ' ' VAL . 34.6 mttt -69.12 87.32 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 544' ' ' VAL . . . . . . . . . . . . . 32.6 m -120.96 42.27 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 545' ' ' CYS . . . . . . . . . . . . . 92.5 m -154.68 142.16 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 546' ' ' ALA . . . . . . . . . . . . . . . -131.31 125.55 33.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.046 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 547' ' ' HIS . . . . . 0.539 ' CD2' HD23 ' A' ' 589' ' ' LEU . 11.0 t-160 -99.99 122.98 43.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 548' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.49 126.65 52.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 549' ' ' THR . . . . . . . . . . . . . 54.9 p -129.12 162.41 27.81 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 550' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 69.28 48.45 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 551' ' ' ILE . . . . . . . . . . . . . 16.9 pt -123.11 145.23 45.45 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.628 0.728 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 552' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.16 126.15 9.43 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.662 2.241 . . . . 0.0 112.316 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 553' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -86.03 34.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 554' ' ' SER . . . . . . . . . . . . . 29.7 p -120.28 -22.65 6.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.895 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 555' ' ' ILE . . . . . . . . . . . . . 21.5 pt -76.69 165.46 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 556' ' ' THR . . . . . . . . . . . . . 67.6 p -116.13 171.89 7.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 557' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -42.15 -58.28 2.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 558' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.89 -59.85 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 559' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -40.62 -58.63 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 560' ' ' VAL . . . . . . . . . . . . . 86.0 t -43.85 -50.5 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 561' ' ' LEU . . . . . 0.427 HD11 ' OE1' ' A' ' 571' ' ' GLU . 42.8 mt -52.24 -42.86 63.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.942 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 562' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -63.23 -45.63 90.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 563' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -55.08 -30.82 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 564' ' ' LEU . . . . . . . . . . . . . 50.8 mt -85.19 30.9 0.58 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 565' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -53.22 120.96 6.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 566' ' ' GLY . . . . . . . . . . . . . . . 118.98 -43.99 1.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.479 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 567' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.11 111.51 38.97 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.184 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 568' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.38 84.73 1.67 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 569' ' ' VAL . . . . . . . . . . . . . 7.1 p -120.7 145.71 26.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 570' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -55.05 175.85 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 571' ' ' GLU . . . . . 0.427 ' OE1' HD11 ' A' ' 561' ' ' LEU . 0.9 OUTLIER -88.3 -43.96 11.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.847 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 572' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -64.93 -36.36 84.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 573' ' ' ALA . . . . . 0.639 ' HB1' ' O ' ' A' ' 591' ' ' GLN . . . -42.45 -32.72 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 574' ' ' VAL . . . . . . . . . . . . . 54.9 t -89.63 136.64 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.2 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 575' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -125.45 133.08 52.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 576' ' ' VAL . . . . . . . . . . . . . 94.2 t -104.9 129.74 57.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 577' ' ' LEU . . . . . 0.602 HD12 ' HB2' ' A' ' 587' ' ' GLN . 41.6 mt -75.79 138.56 41.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 578' ' ' VAL . . . . . . . . . . . . . 18.5 m -144.58 160.07 14.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 579' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 582' ' ' GLY . 28.9 t0 -118.14 174.36 6.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 580' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -43.45 -44.24 5.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 581' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.32 -26.96 64.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 582' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 579' ' ' ASP . . . 69.14 43.6 70.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.545 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 583' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -98.2 -34.73 10.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 584' ' ' GLY . . . . . . . . . . . . . . . 103.26 116.3 4.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 585' ' ' LEU . . . . . . . . . . . . . 5.4 mp -74.68 -32.36 62.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.835 0.35 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 586' ' ' GLY . . . . . . . . . . . . . . . 113.71 35.35 1.56 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 587' ' ' GLN . . . . . 0.602 ' HB2' HD12 ' A' ' 577' ' ' LEU . 91.9 mt-30 -141.23 142.89 33.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.914 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 588' ' ' ALA . . . . . . . . . . . . . . . -145.92 149.13 33.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 589' ' ' LEU . . . . . 0.539 HD23 ' CD2' ' A' ' 547' ' ' HIS . 36.2 mt -109.31 157.72 18.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 590' ' ' VAL . . . . . . . . . . . . . 22.0 t -136.21 119.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 591' ' ' GLN . . . . . 0.639 ' O ' ' HB1' ' A' ' 573' ' ' ALA . 26.9 tt0 -103.42 128.66 50.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 592' ' ' PHE . . . . . 0.489 ' CE2' ' HB3' ' A' ' 601' ' ' SER . 74.9 m-85 -114.56 150.95 34.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 593' ' ' LYS . . . . . 0.441 ' N ' ' HE2' ' A' ' 593' ' ' LYS . 0.1 OUTLIER -63.81 -47.86 79.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 594' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -133.85 -176.34 4.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 595' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 595' ' ' GLU . 2.0 mp0 -74.72 -36.21 62.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 596' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -41.12 -35.54 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 597' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -87.45 -45.52 10.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.845 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 598' ' ' ALA . . . . . . . . . . . . . . . -55.6 -57.05 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 599' ' ' ARG . . . . . . . . . . . . . 37.7 mmm-85 -44.64 -25.79 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 600' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp -87.09 -36.63 18.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 601' ' ' SER . . . . . 0.489 ' HB3' ' CE2' ' A' ' 592' ' ' PHE . 36.4 p -56.96 -33.46 67.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 602' ' ' GLU . . . . . 0.451 ' HB3' ' CG2' ' A' ' 618' ' ' VAL . 2.9 pt-20 -72.34 -27.77 62.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 603' ' ' ARG . . . . . . . . . . . . . 11.0 tpp180 -55.25 -30.5 60.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.823 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 604' ' ' LEU . . . . . . . . . . . . . 61.4 mt -81.99 14.18 2.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 605' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -58.98 146.15 39.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 606' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 52.39 46.56 26.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 607' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -95.17 156.51 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.974 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 608' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.6 99.58 11.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 609' ' ' LEU . . . . . 0.512 HD23 ' C ' ' A' ' 609' ' ' LEU . 4.4 tt -97.14 105.04 17.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 610' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 63.49 28.33 15.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 611' ' ' GLY . . . . . . . . . . . . . . . 88.6 8.74 69.97 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.543 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 612' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -117.23 123.42 46.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 0.0 110.836 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 613' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.73 112.31 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 614' ' ' ALA . . . . . . . . . . . . . . . -101.82 156.74 17.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 615' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 615' ' ' PHE . 2.1 m-85 -123.57 139.75 53.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 616' ' ' VAL . . . . . . . . . . . . . 65.5 t -115.84 139.0 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 617' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -127.36 116.52 20.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 618' ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' ' 602' ' ' GLU . 91.0 t -77.76 115.12 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 619' ' ' VAL . . . . . . . . . . . . . 18.7 m -129.61 165.72 28.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 620' ' ' THR . . . . . . . . . . . . . 60.4 p -75.22 164.33 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.197 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 621' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 621' ' ' LEU . 2.4 tm? -48.6 -61.49 2.0 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 622' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -50.52 -46.93 57.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 623' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -50.74 -21.48 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 624' ' ' MET . . . . . . . . . . . . . 14.1 ttp -88.3 -34.58 17.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 625' ' ' ARG . . . . . . . . . . . . . 8.3 ttp-105 -72.65 -46.39 54.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 626' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -53.57 -37.45 62.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 627' ' ' ILE . . . . . 0.461 ' CG2' ' HD3' ' A' ' 632' ' ' PRO . 42.7 mt -71.97 -57.99 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 628' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 627' ' ' ILE . 0.0 OUTLIER -35.86 -44.86 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 629' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -73.1 -47.15 46.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 630' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -117.57 76.82 10.32 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.646 0.736 . . . . 0.0 110.977 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 631' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -45.86 152.0 1.21 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.345 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 632' ' ' PRO . . . . . 0.461 ' HD3' ' CG2' ' A' ' 627' ' ' ILE . 62.1 Cg_endo -77.85 144.29 21.61 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.656 2.237 . . . . 0.0 112.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 633' ' ' ALA . . . . . . . . . . . . . . . -66.15 160.42 24.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 634' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -62.69 117.65 6.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.941 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 635' ' ' GLY . . . . . . . . . . . . . . . 86.17 77.99 1.21 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 636' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 637' ' ' SER . 8.3 ttpp -100.66 147.16 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 637' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 636' ' ' LYS . 11.5 t -147.4 148.59 31.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 638' ' ' GLY . . . . . . . . . . . . . . . -137.43 -177.83 15.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.51 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 639' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -45.59 141.88 7.59 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 0.0 112.363 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 640' ' ' SER . . . . . . . . . . . . . 79.2 p -114.32 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 641' ' ' SER . . . . . . . . . . . . . 30.2 t -140.91 122.24 14.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.908 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 642' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.567 -179.963 . . . . . . . . 0 0 . 1 stop_ save_